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Daunorubicin

AlkaPlorer ID: AK006427

Synonym: None

IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Structure

SMILES: COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(O)=C1C2=O

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InChI: InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1

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InChIKey: STQGQHZAVUOBTE-VGBVRHCVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces sp. Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 527.5260000000003

TPSA？: 185.84

MolLogP？: 1.0288999999999993

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Anthrax lethal factor Potency 31622.8 nM None
Bacillus cereus Bacillus cereus MIC 5.0 ug.mL-1 10.1021/jm00159a024
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 3162.3 nM None
Bacillus subtilis Bacillus subtilis Activity nan None 10.1021/jm00185a020
Bacillus subtilis Bacillus subtilis LD99 0.1 ug ml-1 10.1021/np049826v
Bacillus subtilis Bacillus subtilis MIC 5.0 ug.mL-1 10.1021/jm00159a024
Bos taurus Calf thymus DNA Activity 100.0 % 10.1021/np50078a006
Bos taurus Calf thymus DNA Activity nan None 10.1021/jm00225a011
Bos taurus Calf thymus DNA Delta Tm 11.0 degrees C 10.1021/jm00206a003
Bos taurus Calf thymus DNA Delta Tm 11.2 degrees C 10.1021/jm00194a005
Bos taurus Calf thymus DNA Delta Tm 11.2 degrees C 10.1021/jm00201a009
Bos taurus Calf thymus DNA Delta Tm 16.8 degrees C 10.1021/jm00225a011
Bos taurus Calf thymus DNA Delta Tm 21.9 degrees C 10.1016/j.bmc.2010.08.025
Bos taurus Calf thymus DNA IC50 2.0 ug.mL-1 10.1021/np50089a004
Bos taurus Calf thymus DNA Kapp nan None 10.1016/j.bmc.2010.08.025
Bos taurus DNA K 2.3 /M 10.1021/jm800826y
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Chlorocebus sabaeus Vero IC50 2500.0 nM 10.1016/j.bmc.2010.10.054
Chlorocebus sabaeus Vero C1008 AUC cytotoxicity 185.5 None 10.1038/s41586-020-2286-9
Chlorocebus sabaeus Vero C1008 pCC50 6.987 None 10.1038/s41586-020-2286-9
Corynebacterium diphtheriae Corynebacterium diphtheriae MIC 5.0 ug.mL-1 10.1021/jm00159a024
Cricetulus griseus CHO Log CR 1.88 None 10.1021/jm00169a014
Equus caballus Ferritin light chain Potency 17782.8 nM None
Escherichia coli Escherichia coli Activity 3.1 None 10.1021/jm00185a020
Escherichia coli Escherichia coli Activity 5.3 None 10.1021/jm00185a020
Escherichia coli Escherichia coli Activity 11.1 None 10.1021/jm00185a020
Escherichia coli Escherichia coli Activity 11.9 None 10.1021/jm00185a020
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 14091.9 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 22334.2 nM None
Homo sapiens A2058 IC50 33.3 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens A2780 IC50 117.49 nM 10.1016/j.bmc.2007.07.024
Homo sapiens A498 ID50 487.0 ng ml-1 10.1021/jm9910472
Homo sapiens A549 GI50 80.0 nM 10.1021/np9006603
Homo sapiens A549 IC50 68.2 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens A549 IC50 80.0 nM 10.1016/j.bmc.2014.11.015
Homo sapiens A549 IC50 150.0 nM 10.1016/j.bmc.2019.03.028
Homo sapiens A549 IC50 510.0 nM 10.1016/j.ejmech.2017.09.009
Homo sapiens A549 IC50 530.0 nM 10.1016/j.bmcl.2019.08.021
Homo sapiens A549 LC50 350.0 nM 10.1021/np9006603
Homo sapiens A549 TCS50 nan None 10.1021/jm0613572
Homo sapiens A549 TGI 170.0 nM 10.1021/np9006603
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens ACHN IC50 63.0 nM 10.1021/jm061348t
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 29999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 26495.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 39810.7 nM None
Homo sapiens Aldehyde reductase Activity 120.0 nmol/min 10.1016/j.ejmech.2012.08.023
Homo sapiens Aldehyde reductase Vmax/Km 312.0 U/mg 10.1016/j.ejmech.2012.08.023
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 14000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 17492.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 12589.3 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 17782.8 nM None
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None 10.1074/jbc.m301358200
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None 10.1124/mol.64.6.1452
Homo sapiens ATP-binding cassette sub-family G member 2 Kact 2.5 uM 10.1006/bbrc.2001.5130
Homo sapiens ATP-dependent DNA helicase Q1 Potency 28183.8 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 31622.8 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 28000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump Activity nan None 10.1023/a:1023278211849
Homo sapiens Bloom syndrome protein Potency 14125.4 nM None
Homo sapiens Bloom syndrome protein Potency 16231.3 nM None
Homo sapiens Bloom syndrome protein Potency 28183.8 nM None
Homo sapiens Bradykinin B2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Breast cancer type 1 susceptibility protein Potency 12589.3 nM None
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 Ki 49400.0 nM 10.1023/a:1016192413308
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Carbonyl reductase [NADPH] 1 Kcat 1.27 /s 10.1016/j.ejmech.2012.08.023
Homo sapiens Carbonyl reductase [NADPH] 1 Kcat 1.94 /s 10.1016/j.ejmech.2012.08.023
Homo sapiens Carbonyl reductase [NADPH] 1 Km 51000.0 nM 10.1016/j.ejmech.2012.08.023
Homo sapiens Carbonyl reductase [NADPH] 1 Km 108000.0 nM 10.1016/j.ejmech.2012.08.023
Homo sapiens Carbonyl reductase [NADPH] 1 Vmax/Km 2140.0 U/mg 10.1016/j.ejmech.2012.08.023
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Cathepsin G IC50 nan None None
Homo sapiens Cathepsin G Ki nan None None
Homo sapiens C-C chemokine receptor type 2 IC50 nan None None
Homo sapiens C-C chemokine receptor type 2 Ki nan None None
Homo sapiens C-C chemokine receptor type 4 IC50 nan None None
Homo sapiens C-C chemokine receptor type 4 Ki nan None None
Homo sapiens C-C chemokine receptor type 5 IC50 nan None None
Homo sapiens C-C chemokine receptor type 5 Ki nan None None
Homo sapiens CCRF-CEM ID50 0.04 uM 10.1021/jm00344a019
Homo sapiens CCRF-CEM ID50 0.04 uM 10.1021/jm00346a027
Homo sapiens CCRF-CEM Log CR 1.2 None 10.1021/jm00169a014
Homo sapiens CCRF-CEM TCS50 62.0 nM 10.1021/jm0613572
Homo sapiens Cellular tumor antigen p53 Potency 15848.9 nM None
Homo sapiens Cellular tumor antigen p53 Potency 31622.8 nM None
Homo sapiens Cholecystokinin A receptor AC50 23999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens COLO 205 IC50 0.5 ug.mL-1 10.1021/np900109y
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 2800.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Potency 31622.8 nM None
Homo sapiens Delta opioid receptor AC50 16248.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens Detroit 551 GI50 1770.0 nM 10.1016/j.bmc.2010.05.062
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 10000.0 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 14125.4 nM None
Homo sapiens DNA polymerase kappa Potency 5011.9 nM None
Homo sapiens DNA polymerase kappa Potency 11917.3 nM None
Homo sapiens DNA topoisomerase I Inhibition nan % 10.1016/j.bmc.2010.10.054
Homo sapiens DNA topoisomerase I Ka1 980.0 None 10.1021/jm00045a026
Homo sapiens DNA topoisomerase I Ratio 1.4 None 10.1021/jm00045a026
Homo sapiens DNA topoisomerase I Ratio nan None 10.1021/jm00045a026
Homo sapiens DNA topoisomerase II alpha INH 0.5 mM 10.1016/j.bmcl.2012.08.032
Homo sapiens DNA topoisomerase II alpha Inhibition nan % 10.1016/j.bmc.2010.10.054
Homo sapiens DNA topoisomerase II alpha Inhibition nan % 10.1021/jm200799p
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor AC50 13769.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 17860.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 17663.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens DU-145 IC50 24.5 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens DU-145 IC50 90.0 nM 10.1021/jm200799p
Homo sapiens DU-145 IC50 130.0 nM 10.1016/j.ejmech.2020.112844
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 14282.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 3000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 3900.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens EVSA-T ID50 48.0 ng ml-1 10.1021/jm9910472
Homo sapiens G-361 TCS50 670.0 nM 10.1021/jm0613572
Homo sapiens Geminin Potency 5309.1 nM None
Homo sapiens Ghrelin receptor AC50 5165.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 110.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens H69AR GI50 3840.0 nM 10.1021/acs.jmedchem.7b00788
Homo sapiens H69AR IC50 1000.0 nM 10.1021/jm061348t
Homo sapiens HCT-116 IC50 127.1 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens HCT-116 IC50 210.0 nM 10.1016/j.bmcl.2019.08.021
Homo sapiens HCT-15 IC50 400.0 nM 10.1021/jm061348t
Homo sapiens HEK293 Activity 82.0 % 10.1021/np900173d
Homo sapiens HEK293 IC50 1200.0 nM 10.1021/acs.jmedchem.2c01132
Homo sapiens HEK293 IC50 11170.0 nM 10.1016/j.bmcl.2019.08.021
Homo sapiens HEK293 IC50 11170.0 nM 10.1016/j.ejmech.2017.09.009
Homo sapiens HEK293 IC50 12550.0 nM 10.1021/acs.jmedchem.5b01478
Homo sapiens HEK293 IC50 12550.0 nM 10.1021/acs.jmedchem.7b01447
Homo sapiens HeLa Activity 13.0 % 10.1021/np50039a011
Homo sapiens HeLa Activity 48.0 % 10.1021/np50039a011
Homo sapiens HeLa Activity 123.0 % 10.1021/np50039a011
Homo sapiens HeLa IC50 2960.0 nM 10.1021/jm060471h
Homo sapiens HeLa ID50 12.5 ng/ml 10.1021/np50039a011
Homo sapiens HeLa ID50 13.0 ng/ml 10.1021/jm00227a033
Homo sapiens HeLa TCS50 670.0 nM 10.1021/jm0613572
Homo sapiens HepG2 AC50 nan None 10.1016/j.ejmech.2015.04.004
Homo sapiens HepG2 Activity 0.7 % 10.1016/j.bmc.2010.10.054
Homo sapiens HepG2 Activity 2.0 % 10.1016/j.bmc.2010.10.054
Homo sapiens HepG2 GI50 nan None 10.1016/j.ejmech.2015.04.004
Homo sapiens HepG2 IC50 21.3 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens HepG2 IC50 700.0 nM 10.1016/j.bmc.2010.10.054
Homo sapiens HepG2 IC50 9120.0 nM 10.1073/pnas.1118370109
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor AC50 18439.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 17999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone acetyltransferase GCN5 Potency 316.2 nM None
Homo sapiens Histone deacetylase Activity nan None 10.1021/jm200799p
Homo sapiens Histone deacetylase Inhibition nan % 10.1021/jm200799p
Homo sapiens Histone deacetylase 1 IC50 47.0 nM 10.1016/j.ejmech.2020.112844
Homo sapiens Histone deacetylase 1 IC50 nan None 10.1021/jm200799p
Homo sapiens Histone deacetylase 6 IC50 20.0 nM 10.1016/j.ejmech.2020.112844
Homo sapiens Histone deacetylase 6 IC50 nan None 10.1021/jm200799p
Homo sapiens Histone deacetylase 6 Inhibition nan % 10.1021/jm200799p
Homo sapiens Histone deacetylase 8 IC50 220.0 nM 10.1016/j.ejmech.2020.112844
Homo sapiens Histone deacetylase 8 IC50 nan None 10.1021/jm200799p
Homo sapiens Histone deacetylase (HDAC1 and HDAC2) IC50 nan None 10.1021/jm200799p
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 15848.9 nM None
Homo sapiens Histone-lysine N-methyltransferase MLL Potency 28183.8 nM None
Homo sapiens HL-60 AC50 40.0 nM 10.1021/jm030785u
Homo sapiens HL-60 AC50 100.0 nM 10.1016/j.ejmech.2008.01.007
Homo sapiens HL-60 AC50 10000.0 nM 10.1021/jm030785u
Homo sapiens HL-60 AC50 38000.0 nM 10.1016/j.ejmech.2008.01.007
Homo sapiens HL-60 AC50 nan None 10.1016/j.ejmech.2015.04.004
Homo sapiens HL-60 IC50 5.0 nM 10.1021/jm030785u
Homo sapiens HL-60 IC50 15.0 nM 10.1021/acs.jmedchem.0c02157
Homo sapiens HL-60 IC50 40.0 nM 10.1021/jm030785u
Homo sapiens HL-60 IC50 1500.0 nM 10.1021/jm030785u
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens F 0.0 % 10.1021/jm901421c
Homo sapiens Homo sapiens Fabs 10.0 % 10.1124/dmd.110.034629
Homo sapiens HOS TCS50 330.0 nM 10.1021/jm0613572
Homo sapiens HT-29 Activity 2.1 % 10.1016/j.bmc.2010.10.054
Homo sapiens HT-29 Activity 11.0 % 10.1016/j.bmc.2010.10.054
Homo sapiens HT-29 Activity 94.0 % 10.1016/j.ejmech.2019.05.016
Homo sapiens HT-29 Activity nan None 10.1021/np50063a010
Homo sapiens HT-29 GI50 70.0 nM 10.1021/np9006603
Homo sapiens HT-29 IC50 0.027 None 10.1021/jm00163a028
Homo sapiens HT-29 IC50 0.35 None 10.1021/jm00163a028
Homo sapiens HT-29 IC50 133.0 nM 10.1021/np50063a010
Homo sapiens HT-29 IC50 200.0 nM 10.1016/j.ejmech.2012.03.016
Homo sapiens HT-29 IC50 202.9 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens HT-29 IC50 400.0 nM 10.1016/j.bmc.2010.10.054
Homo sapiens HT-29 Inhibition 30.0 % 10.1016/j.ejmech.2019.05.016
Homo sapiens HT-29 Inhibition 84.0 % 10.1016/j.ejmech.2019.05.016
Homo sapiens HT-29 IZ 5.0 mm 10.1021/np50063a010
Homo sapiens HT-29 LC50 17200.0 nM 10.1021/np9006603
Homo sapiens HT-29 TGI 330.0 nM 10.1021/np9006603
Homo sapiens Huntingtin Potency 2238.7 nM None
Homo sapiens IGROV-1 ID50 113.0 ng ml-1 10.1021/jm9910472
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens Jurkat IC50 82.6 nM 10.1021/jm050902g
Homo sapiens Jurkat IC75 182.2 nM 10.1021/jm050902g
Homo sapiens K562 AC50 nan None 10.1016/j.ejmech.2015.04.004
Homo sapiens K562 Activity 30.0 % 10.1021/jm050800q
Homo sapiens K562 Activity 70.0 % 10.1021/jm050800q
Homo sapiens K562 Activity nan None 10.1021/jm050800q
Homo sapiens K562 GI50 7.4 nM 10.1016/j.bmc.2010.05.062
Homo sapiens K562 GI50 nan None 10.1016/j.ejmech.2015.04.004
Homo sapiens K562 IC50 0.45 ug.mL-1 10.1021/np900109y
Homo sapiens K562 IC50 1.49 ug.mL-1 10.1016/j.bmc.2011.03.055
Homo sapiens K562 IC50 8.5 ug.mL-1 10.1016/j.bmc.2011.03.055
Homo sapiens K562 IC50 15.0 nM 10.1021/jm050800q
Homo sapiens K562 IC50 15.2 ug.mL-1 10.1021/np900109y
Homo sapiens K562 IC50 5000.0 nM 10.1021/jm050800q
Homo sapiens K562 RatioGI50 239.0 None 10.1016/j.bmc.2010.05.062
Homo sapiens K562 Ratio IC50 333.0 None 10.1021/jm050800q
Homo sapiens K562 TCS50 230.0 nM 10.1021/jm0613572
Homo sapiens Kappa opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens KB Activity nan None 10.1021/jm8003366
Homo sapiens KB IC50 0.22 ug.mL-1 10.1021/np900109y
Homo sapiens KB IC50 0.45 ug.mL-1 10.1016/j.bmc.2011.03.055
Homo sapiens KB IC50 640.0 nM 10.1016/j.bmc.2010.02.046
Homo sapiens KB IC50 2070.0 nM 10.1016/0960-894X(96)00457-X
Homo sapiens KB IC50 2070.0 nM 10.1016/s0960-894x(02)00823-5
Homo sapiens KB Resistance factor 295.7 None 10.1016/s0960-894x(02)00823-5
Homo sapiens KB 3-1 IC50 7.0 nM 10.1016/0960-894X(96)00457-X
Homo sapiens KB 3-1 IC50 7.0 nM 10.1016/s0960-894x(02)00823-5
Homo sapiens Leukocyte common antigen IC50 nan None None
Homo sapiens Leukocyte common antigen Ki nan None None
Homo sapiens Leukocyte elastase IC50 nan None None
Homo sapiens Leukocyte elastase Ki nan None None
Homo sapiens LNCaP IC50 100.0 nM 10.1016/j.ejmech.2012.03.016
Homo sapiens Lysine-specific demethylase 4D-like Potency 35481.3 nM None
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase ERK2 Potency 31622.8 nM None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase-2 IC50 1900.0 nM 10.1021/jm00093a008
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens MCF-10A GI 35.01 % 10.1016/j.bmc.2022.116912
Homo sapiens MCF-10A GI 46.11 % 10.1016/j.bmc.2022.116912
Homo sapiens MCF7 Activity 0.6 % 10.1016/j.bmc.2010.10.054
Homo sapiens MCF7 Activity 2.0 % 10.1016/j.bmc.2010.10.054
Homo sapiens MCF7 Activity 30.0 % 10.1016/j.bmc.2010.05.062
Homo sapiens MCF7 GI50 860.0 nM 10.1016/j.bmc.2010.05.062
Homo sapiens MCF7 IC50 0.033 ug.mL-1 10.1016/j.bmc.2011.03.055
Homo sapiens MCF7 IC50 0.33 ug.mL-1 10.1021/np900109y
Homo sapiens MCF7 IC50 0.5 ug.mL-1 10.1016/j.bmcl.2010.10.138
Homo sapiens MCF7 IC50 39.0 nM 10.1016/S0960-894X(97)10152-4
Homo sapiens MCF7 IC50 60.0 nM 10.1021/jm970237e
Homo sapiens MCF7 IC50 60.0 nM 10.1021/jm970739s
Homo sapiens MCF7 IC50 286.0 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens MCF7 IC50 400.0 nM 10.1016/j.ejmech.2012.03.016
Homo sapiens MCF7 IC50 560.0 nM 10.1016/j.bmcl.2019.08.021
Homo sapiens MCF7 IC50 650.0 nM 10.1016/j.bmc.2014.11.015
Homo sapiens MCF7 IC50 950.0 nM 10.1021/jm200799p
Homo sapiens MCF7 IC50 1440.0 nM 10.1016/j.ejmech.2017.09.009
Homo sapiens MCF7 IC50 5030.0 nM 10.1021/jm200046z
Homo sapiens MCF7 IC50 5500.0 nM 10.1016/j.bmc.2010.10.054
Homo sapiens MCF7 IC50 33900.0 nM 10.1021/ml3002852
Homo sapiens MCF7 ID50 329.0 ng ml-1 10.1021/jm9910472
Homo sapiens MCF7 RatioGI50 2.06 None 10.1016/j.bmc.2010.05.062
Homo sapiens MCF7 TCS50 140.0 nM 10.1021/jm0613572
Homo sapiens MDA-MB-231 GI 9.76 % 10.1016/j.bmc.2022.116912
Homo sapiens MDA-MB-231 GI 10.7 % 10.1016/j.bmc.2022.116912
Homo sapiens MDA-MB-231 GI 36.85 % 10.1016/j.bmc.2022.116912
Homo sapiens MDA-MB-231 GI50 20.0 nM 10.1021/np9006603
Homo sapiens MDA-MB-231 IC50 52.9 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens MDA-MB-231 IC50 91.0 nM 10.1016/j.bmc.2014.11.015
Homo sapiens MDA-MB-231 LC50 860.0 nM 10.1021/np9006603
Homo sapiens MDA-MB-231 TGI 120.0 nM 10.1021/np9006603
Homo sapiens MDA-MB-361 IC50 17.0 nM 10.1021/jm980696v
Homo sapiens MDA-MB-361 IC50 21.0 nM 10.1021/jm980696v
Homo sapiens MDA-MB-361 IC50 36.0 nM 10.1021/jm980696v
Homo sapiens MDA-MB-435 IC50 79.0 nM 10.1021/jm060593+
Homo sapiens MDA-MB-435 IC50 129.0 nM 10.1021/jm060593+
Homo sapiens MDA-MB-435 IC50 977.0 nM 10.1021/jm060593+
Homo sapiens MDA-MB-435 IC50 nan None 10.1021/jm060593+
Homo sapiens MDA-MB-435 Ratio IC50 7.6 None 10.1021/jm060593+
Homo sapiens Melanocortin receptor 3 AC50 29000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 2818.4 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 12589.3 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 14125.4 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 15848.9 nM None
Homo sapiens MES-SA IC50 21.0 nM 10.1016/s0960-894x(99)00667-8
Homo sapiens MES-SA IC50 70.0 nM 10.1016/s0960-894x(02)00823-5
Homo sapiens MES-SA IC50 3000.0 nM 10.1016/s0960-894x(02)00823-5
Homo sapiens MES-SA/Dx5 IC50 14.0 nM 10.1016/s0960-894x(99)00667-8
Homo sapiens MES-SA/Dx5 IC50 2000.0 nM 10.1016/s0960-894x(99)00667-8
Homo sapiens MEXF989 IC70 0.26 uM 10.1016/S0960-894X(97)00069-3
Homo sapiens Microtubule-associated protein tau Potency 4466.8 nM None
Homo sapiens Microtubule-associated protein tau Potency 5011.9 nM None
Homo sapiens Microtubule-associated protein tau Potency 25118.9 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens MONO-MAC-6 Activity 121.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Activity 142.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 14.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 16.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 17.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 21.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 26.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 27.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 35.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 36.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 46.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 59.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 95.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Inhibition 97.0 % 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Ratio 0.45 None 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Ratio 0.49 None 10.1016/j.ejmech.2012.03.016
Homo sapiens MONO-MAC-6 Ratio 0.85 None 10.1016/j.ejmech.2012.03.016
Homo sapiens Motilin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens MRC5 IC50 78.0 nM 10.1016/j.bmc.2014.11.015
Homo sapiens MRC5 IC50 254.7 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens MRC5 IC50 880.0 nM 10.1021/jm200046z
Homo sapiens MRC5 Ratio IC50 0.17 None 10.1021/jm200046z
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None 10.1006/bbrc.1998.8887
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None 10.1007/s11103-006-0024-9
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None None
Homo sapiens Multidrug resistance-associated protein 1 IC50 8000.0 nM 10.1074/jbc.271.16.9683
Homo sapiens Multidrug resistance-associated protein 1 Ki 70.0 nM 10.1006/bbrc.1998.8887
Homo sapiens Multidrug resistance-associated protein 1 Ki 950.0 nM 10.1016/s0005-2736(97)00003-5
Homo sapiens Multidrug resistance-associated protein 1 Km 1400.0 nM 10.1016/0006-2952(94)90149-x
Homo sapiens Multidrug resistance-associated protein 6 Activity nan None None
Homo sapiens Mu opioid receptor AC50 23999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 14282.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 12999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens NADH-ubiquinone oxidoreductase chain 4 Activity 0.15 units ml-1 10.1021/jm00053a005
Homo sapiens NADH-ubiquinone oxidoreductase chain 4 IC10 2.0 uM 10.1021/jm00053a005
Homo sapiens NCI/ADR-RES IC50 2000.0 nM 10.1021/jm970237e
Homo sapiens NCI/ADR-RES IC50 2000.0 nM 10.1021/jm970739s
Homo sapiens NCI/ADR-RES IC50 7120.0 nM 10.1016/j.ejmech.2017.02.022
Homo sapiens NCI/ADR-RES IC50 51620.0 nM 10.1016/j.ejmech.2021.113336
Homo sapiens NCI-H1650 IC50 47.5 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens NCI-H1975 IC50 13.3 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens NCI-H226 ID50 243.0 ng ml-1 10.1021/jm9910472
Homo sapiens NCI-H460 Activity 15.0 % 10.1016/j.bmc.2010.05.062
Homo sapiens NCI-H460 GI50 380.0 nM 10.1016/j.bmc.2010.05.062
Homo sapiens NCI-H460 IC50 3.5 nM 10.1016/S0960-894X(97)10152-4
Homo sapiens NCI-H460 IC50 380.0 nM 10.1021/jm200046z
Homo sapiens NCI-H460 RatioGI50 4.66 None 10.1016/j.bmc.2010.05.062
Homo sapiens NCI-H460 Ratio IC50 2.32 None 10.1021/jm200046z
Homo sapiens NCI-H69 IC50 100.0 nM 10.1021/jm061348t
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None None
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10798.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Norepinephrine transporter AC50 10353.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens NSCLC IC50 3.9 nM 10.1016/S0960-894X(97)10152-4
Homo sapiens OCI-AML2 Cytotoxicity 0.001 ug ml-1 10.1016/j.bmcl.2003.09.001
Homo sapiens OCI-AML2 Cytotoxicity 0.43 ug ml-1 10.1016/j.bmcl.2003.09.001
Homo sapiens OCI-AML2 Cytotoxicity 0.52 ug ml-1 10.1016/j.bmcl.2003.09.001
Homo sapiens OVCAR-3 IC50 472.9 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens PANC-1 IC50 466.7 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens PC-3 IC50 26.0 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens Peroxisome proliferator-activated receptor gamma AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Peroxisome proliferator-activated receptor gamma AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens P-glycoprotein 1 Activity nan None 10.1002/jps.20046
Homo sapiens P-glycoprotein 1 Activity nan None 10.1023/a:1013358126640
Homo sapiens P-glycoprotein 1 Activity nan None 10.1248/bpb.22.1355
Homo sapiens P-glycoprotein 1 Activity nan None None
Homo sapiens P-glycoprotein 1 FC 2.8 None 10.1016/j.ejmech.2021.113336
Homo sapiens P-glycoprotein 1 Ki 2500.0 nM 10.1023/a:1011076217118
Homo sapiens P-glycoprotein 1 Ki 111000.0 nM 10.1023/a:1016140429238
Homo sapiens P-glycoprotein 1 Km 1740.0 nM 10.1023/a:1013358126640
Homo sapiens P-glycoprotein 1 % maximum response -0.69 % None
Homo sapiens P-glycoprotein 1 Papp 5.47 nm/s None
Homo sapiens P-glycoprotein 1 Papp 77.7 nm/s None
Homo sapiens P-glycoprotein 1 Ratio_ATPase activity 1.69 None None
Homo sapiens P-glycoprotein 1 Ratio_Papp 14.2 None None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 21999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Pregnane X receptor AC50 1000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 9400.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 3000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 7422.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens RD IC50 2450.0 nM 10.1016/j.bmcl.2019.08.021
Homo sapiens RD IC50 2450.0 nM 10.1016/j.ejmech.2017.09.009
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 251.2 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 3981.1 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 15848.9 nM None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 14071.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 12845.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 10999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens SF-268 Activity 16.0 % 10.1016/j.bmc.2010.05.062
Homo sapiens SF-268 GI50 600.0 nM 10.1016/j.bmc.2010.05.062
Homo sapiens SF-268 IC50 600.0 nM 10.1021/jm200046z
Homo sapiens SF-268 RatioGI50 2.95 None 10.1016/j.bmc.2010.05.062
Homo sapiens SF-268 Ratio IC50 1.47 None 10.1021/jm200046z
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SK-MES-1 IC50 170.0 nM 10.1021/jm200799p
Homo sapiens SK-MES-1 Resistance factor 42.8 None 10.1016/s0960-894x(02)00823-5
Homo sapiens SK-OV-3 IC50 20600.0 nM 10.1021/ml3002852
Homo sapiens Telomerase reverse transcriptase Inhibition 50.0 % 10.1016/s0960-894x(01)00553-4
Homo sapiens THP-1 IC50 26900.0 nM 10.1016/j.bmcl.2012.07.100
Homo sapiens THP-1 Ratio IC50 1.0 None None
Homo sapiens Thromboxane A2 receptor AC50 25000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Thyroid hormone receptor beta-1 Potency 11220.2 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 22387.2 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 31622.8 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 44668.4 nM None
Homo sapiens Transthyretin IC50 100000.0 nM 10.1016/j.bmc.2021.116292
Homo sapiens Trypsin I Inhibition nan % 10.1021/jm00093a008
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 21.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 26.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 37.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 15848.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 22387.2 nM None
Homo sapiens U-87 MG IC50 27.9 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 39810.7 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 44668.4 nM None
Homo sapiens UDP-glucuronosyltransferase 1-1 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-6 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-9 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 3600.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vitamin D receptor Potency 15848.9 nM None
Homo sapiens WiDr IC50 240.1 nM 10.1016/j.ejmech.2019.05.016
Homo sapiens WiDr ID50 38.0 ng ml-1 10.1021/jm9910472
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 125.0 ug.mL-1 10.1021/np50073a012
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 125.0 ug.mL-1 10.1021/np9700275
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 139000.0 nM 10.1016/j.bmcl.2012.05.041
Leishmania major Leishmania major EC50 220.0 nM 10.1128/aac.01545-10
Leishmania major Leishmania major EC50 380.0 nM 10.1128/aac.01545-10
Leishmania major Leishmania major Ratio EC50 1.7 None 10.1128/aac.01545-10
Leishmania tropica Leishmania tropica IC50 2800.0 nM 10.1016/j.bmcl.2012.07.100
Leishmania tropica Leishmania tropica IC50 179800.0 nM 10.1016/j.bmcl.2012.07.100
Leishmania tropica Leishmania tropica Ratio IC50 64.0 None 10.1016/j.bmcl.2012.07.100
Mesocricetus auratus BHK-21 IC50 90.0 nM 10.1016/j.ejmech.2019.01.001
Mus musculus 4T1 GI 60.01 % 10.1016/j.bmc.2022.116912
Mus musculus 4T1 GI 63.62 % 10.1016/j.bmc.2022.116912
Mus musculus 4T1 GI 69.84 % 10.1016/j.bmc.2022.116912
Mus musculus 4T1 IC50 40.8 nM 10.1016/j.ejmech.2019.05.016
Mus musculus 4T1 IC50 300.0 nM 10.1016/j.ejmech.2019.01.001
Mus musculus B16 EC50 160.0 nM 10.1021/jm000073t
Mus musculus B16 IC50 8.9 nM 10.1016/j.ejmech.2019.05.016
Mus musculus B16 IC50 9.2 nM 10.1016/S0960-894X(97)10152-4
Mus musculus B16 T/C 96.0 % 10.1021/jm00190a010
Mus musculus B16 T/C 122.0 % 10.1021/jm00190a010
Mus musculus B16 T/C 127.0 % 10.1021/jm00190a010
Mus musculus Bile salt export pump Activity nan None None
Mus musculus CT26.WT IC50 126.0 nM 10.1016/j.ejmech.2019.05.016
Mus musculus CT26.WT IC50 420.0 nM 10.1016/j.ejmech.2019.01.001
Mus musculus Dihydrofolate reductase Log 1/C 7.1 None 10.1021/jm00369a019
Mus musculus Dihydrofolate reductase Log 1/C 7.17 None 10.1021/jm00369a019
Mus musculus Intestine Ratio AUC 3.0 None 10.1124/dmd.110.034629
Mus musculus L1210 Cytotoxicity 0.02 ug ml-1 10.1016/S0960-894X(00)80625-3
Mus musculus L1210 Drug uptake 0.31 nmol 10.1021/jm00227a015
Mus musculus L1210 ED50 0.23 uM 10.1021/jm00206a003
Mus musculus L1210 ED50 0.3 uM 10.1021/jm00225a011
Mus musculus L1210 ED50 0.33 uM 10.1021/jm00160a047
Mus musculus L1210 ED50 0.33 uM 10.1021/jm00187a010
Mus musculus L1210 ED50 0.33 uM 10.1021/jm00194a005
Mus musculus L1210 ED50 0.33 uM 10.1021/jm00343a004
Mus musculus L1210 ED50 0.48 uM 10.1021/jm00206a003
Mus musculus L1210 ED50 0.66 uM 10.1021/jm00160a047
Mus musculus L1210 ED50 0.66 uM 10.1021/jm00187a010
Mus musculus L1210 ED50 0.66 uM 10.1021/jm00194a005
Mus musculus L1210 ED50 0.66 uM 10.1021/jm00343a004
Mus musculus L1210 IC50 0.028 None 10.1021/jm00163a028
Mus musculus L1210 IC50 0.038 None 10.1021/jm00163a028
Mus musculus L1210 IC50 30.0 nM 10.1021/jm970589l
Mus musculus L1210 IC50 33.0 nM 10.1016/0960-894X(96)00457-X
Mus musculus L1210 IC50 40.0 nM 10.1016/s0960-894x(02)00823-5
Mus musculus L1210 Inhibition 0.33 % 10.1021/jm00201a009
Mus musculus L1210 Inhibition 0.66 % 10.1021/jm00201a009
Mus musculus L1210 Inhibition 37.0 % 10.1021/jm00227a015
Mus musculus L1210 Inhibition 47.6 % 10.1021/jm00227a015
Mus musculus L1210 Inhibition 68.8 % 10.1021/jm00227a015
Mus musculus L1210 Inhibition 69.8 % 10.1021/jm00227a015
Mus musculus L1210 Inhibition 74.8 % 10.1021/jm00227a015
Mus musculus L1210 Inhibition 83.0 % 10.1021/jm00227a015
Mus musculus L1210 Ratio 119.0 None 10.1021/jm00227a015
Mus musculus L1210 Ratio 155.0 None 10.1021/jm00227a015
Mus musculus L1210 Ratio ED50 2.0 None 10.1021/jm00194a005
Mus musculus L5178Y IC50 300.0 nM 10.1016/j.bmc.2012.10.041
Mus musculus L5178Y IC50 730.0 nM 10.1016/j.bmc.2012.10.041
Mus musculus L5178Y IC50 2320.0 nM 10.1016/j.bmc.2012.10.041
Mus musculus L5178Y IC50 7730.0 nM 10.1016/j.bmc.2012.10.041
Mus musculus L5178Y Ratio IC50 10.0 None 10.1016/j.bmc.2012.10.041
Mus musculus Lewis lung carcinoma cell line IC50 61.0 nM 10.1016/S0960-894X(97)10152-4
Mus musculus MEF ID50 5.5 ng/ml 10.1021/jm00227a033
Mus musculus MEF ID50 9.0 ng/ml 10.1021/jm00227a033
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Monoamine oxidase B Activity nan None 10.1021/jm800656v
Mus musculus Multidrug resistance-associated protein 1 Activity nan None 10.1124/dmd.31.8.1016
Mus musculus Multidrug resistance-associated protein 1 Activity nan None 10.1124/mol.52.3.344
Mus musculus Mus musculus Activity 50.0 % 10.1021/jm050800q
Mus musculus Mus musculus Activity nan None 10.1021/jm00188a001
Mus musculus Mus musculus Activity nan None 10.1021/jm00190a010
Mus musculus Mus musculus Activity nan None 10.1021/jm00225a011
Mus musculus Mus musculus Activity nan None 10.1021/np50039a011
Mus musculus Mus musculus Cures 0.0 None 10.1021/jm020420u
Mus musculus Mus musculus Diameter 0.0 mM 10.1021/jm00185a004
Mus musculus Mus musculus Diameter 0.3 mM 10.1021/jm00185a004
Mus musculus Mus musculus Diameter 0.4 mM 10.1021/jm00185a004
Mus musculus Mus musculus Diameter 2.0 mM 10.1021/jm00185a004
Mus musculus Mus musculus Diameter 2.9 mM 10.1021/jm00185a004
Mus musculus Mus musculus Diameter 4.1 mM 10.1021/jm00185a004
Mus musculus Mus musculus Growth delay 0.0 day 10.1021/jm020420u
Mus musculus Mus musculus ILS 91.0 % 10.1021/jm00344a019
Mus musculus Mus musculus Increase in life-span 42.0 % 10.1021/jm00185a004
Mus musculus Mus musculus Increase in life-span 65.0 % 10.1021/jm00185a004
Mus musculus Mus musculus Increase in life-span 66.0 % 10.1021/jm00185a004
Mus musculus Mus musculus Increase in life-span 67.0 % 10.1021/jm00185a004
Mus musculus Mus musculus Increase in life-span 83.0 % 10.1021/jm00185a004
Mus musculus Mus musculus Increase in life-span 123.0 % 10.1021/jm00185a004
Mus musculus Mus musculus Mean tumor volume 1154.0 None 10.1021/jm990166e
Mus musculus Mus musculus MTD 5.2 mg kg-1 10.1021/jm00195a002
Mus musculus Mus musculus O2 consumption 82.0 % 10.1021/jm00343a004
Mus musculus Mus musculus O2 consumption 109.0 % 10.1021/jm00343a004
Mus musculus Mus musculus Survivors 0.0 None 10.1021/jm00185a004
Mus musculus Mus musculus Survivors 3.0 None 10.1021/jm00185a004
Mus musculus Mus musculus Survivors 6.0 None 10.1021/jm00185a004
Mus musculus Mus musculus T/C 44.8 % 10.1021/jm990166e
Mus musculus Mus musculus T/C 54.0 % 10.1021/jm990166e
Mus musculus Mus musculus T/C 92.0 % 10.1021/jm990166e
Mus musculus Mus musculus T/C 105.0 % 10.1016/S0960-894X(97)10152-4
Mus musculus Mus musculus T/C 117.0 % 10.1021/jm990166e
Mus musculus Mus musculus Tumor growth 1226.0 % 10.1021/jm990166e
Mus musculus Mus musculus Weight change -8.4 % 10.1021/jm00185a004
Mus musculus Mus musculus Weight change -6.3 % 10.1021/jm00185a004
Mus musculus Mus musculus Weight change -5.9 % 10.1021/jm00185a004
Mus musculus Mus musculus Weight change -4.3 % 10.1021/jm00185a004
Mus musculus Mus musculus Weight change -3.2 % 10.1021/jm00185a004
Mus musculus Mus musculus Weight change -1.1 % 10.1021/jm00185a004
Mus musculus NIH3T3 IC50 1010.0 nM 10.1021/jm800403b
Mus musculus NIH3T3 Ratio IC50 23.0 None 10.1021/jm800403b
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Nuclear receptor ROR-gamma Potency 63.1 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 2818.4 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 6309.6 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 7943.3 nM None
Mus musculus P388 Activity 2.9 mg kg-1 10.1021/jm00188a001
Mus musculus P388 Activity 98.0 mg kg-1 10.1021/jm00195a002
Mus musculus P388 Change in body weight 0.3 g mouse-1 10.1021/jm00105a007
Mus musculus P388 Change in body weight 1.4 g mouse-1 10.1021/jm00105a007
Mus musculus P388 IC50 3.0 nM 10.1021/jm990166e
Mus musculus P388 IC50 25.0 nM 10.1021/jm060593+
Mus musculus P388 IC50 28.0 nM 10.1021/np50063a010
Mus musculus P388 ID50 9.5 ng/ml 10.1021/np50039a011
Mus musculus P388 ID50 750.0 ng/ml 10.1021/np50039a011
Mus musculus P388 ILS 63.0 % 10.1021/jm00105a007
Mus musculus P388 ILS 79.0 % 10.1021/jm00105a007
Mus musculus P388 IZ 10.0 mm 10.1021/np50063a010
Mus musculus P388 IZ 12.5 mm 10.1021/np50063a010
Mus musculus P388 IZ 20.0 mm 10.1021/np50063a010
Mus musculus P388 MED 0.52 mg kg-1 10.1021/jm00195a002
Mus musculus P388 Median day of death 18.0 None 10.1021/jm00105a007
Mus musculus P388 Median day of death 19.5 None 10.1021/jm00105a007
Mus musculus P388 Mortality 20.0 day 10.1021/jm00105a007
Mus musculus P388 Mortality 27.0 day 10.1021/jm00105a007
Mus musculus P388 Ratio IC50 20.0 None 10.1021/jm060593+
Mus musculus P388 Ratio IC50 53.0 None 10.1021/jm060593+
Mus musculus P388 Survivors 0.0 None 10.1021/jm00105a007
Mus musculus P388 T/C 83.0 % 10.1021/jm00206a003
Mus musculus P388 T/C 96.0 None 10.1021/jm00225a011
Mus musculus P388 T/C 97.0 % 10.1021/jm00190a010
Mus musculus P388 T/C 112.0 % 10.1021/jm00206a003
Mus musculus P388 T/C 112.0 None 10.1021/jm00225a011
Mus musculus P388 T/C 116.0 % 10.1021/jm00190a010
Mus musculus P388 T/C 122.0 % 10.1021/jm00190a010
Mus musculus P388 T/C 123.0 % 10.1021/jm00190a010
Mus musculus P388 T/C 127.0 % 10.1021/jm00201a009
Mus musculus P388 T/C 130.0 % 10.1021/jm00160a047
Mus musculus P388 T/C 130.0 % 10.1021/jm00343a004
Mus musculus P388 T/C 130.0 None 10.1021/jm00225a011
Mus musculus P388 T/C 131.0 % 10.1021/jm00201a009
Mus musculus P388 T/C 132.0 % 10.1021/jm00194a005
Mus musculus P388 T/C 134.0 % 10.1021/jm00201a009
Mus musculus P388 T/C 142.0 None 10.1021/jm00225a011
Mus musculus P388 T/C 143.0 % 10.1021/jm00171a010
Mus musculus P388 T/C 144.0 % 10.1021/jm00201a009
Mus musculus P388 T/C 148.0 % 10.1021/jm00201a009
Mus musculus P388 T/C 150.0 None 10.1021/jm00225a011
Mus musculus P388 T/C 151.0 % 10.1021/jm00190a010
Mus musculus P388 T/C 152.0 % 10.1021/jm00206a003
Mus musculus P388 T/C 153.0 % 10.1021/jm00201a009
Mus musculus P388 T/C 157.0 None 10.1021/jm00225a011
Mus musculus P388 T/C 160.0 % 10.1021/jm00194a005
Mus musculus P388 T/C 160.0 None 10.1021/jm00143a014
Mus musculus P388 T/C 162.0 % 10.1021/jm00206a003
Mus musculus P388 T/C 167.0 % 10.1021/jm00201a009
Mus musculus P388 T/C 167.0 % 10.1021/jm00206a003
Mus musculus P388 T/C 168.0 % 10.1021/np50039a011
Mus musculus P388 T/C 169.0 % 10.1021/jm00188a001
Mus musculus P388 T/C 177.0 % 10.1021/np50039a011
Mus musculus P388 T/C 190.0 % 10.1021/np50039a011
Mus musculus P388 Total dose 4.0 mg kg-1 10.1021/jm00105a007
Mus musculus P388/ADR IC50 40.0 nM 10.1021/jm060593+
Mus musculus P388/ADR IC50 106.0 nM 10.1021/jm060593+
Mus musculus P388/ADR IC50 2111.0 nM 10.1021/jm060593+
Mus musculus P-glycoprotein 1 and 3 (MDR1a/MDR1b) Activity nan None 10.1023/a:1013358126640
Mus musculus Sarcoma-180 T/C 192.0 % 10.1021/jm00227a033
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Photinus pyralis Luciferin 4-monooxygenase Potency 8087.5 nM None
Plasmodium berghei Plasmodium berghei IC50 2990.0 nM 10.1073/pnas.1118370109
Plasmodium falciparum Plasmodium falciparum IC50 155.0 nM 10.1073/pnas.1118370109
Plasmodium falciparum Plasmodium falciparum IC50 340.0 nM 10.1073/pnas.1118370109
Plasmodium falciparum Plasmodium falciparum Potency 674.6 nM None
Plasmodium falciparum Plasmodium falciparum Potency 756.9 nM None
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Androgen Receptor AC50 3000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor AC50 14071.2 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus C6 Activity nan None 10.1021/np960144k
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Inositol monophosphatase 1 Potency 12589.3 nM None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Multidrug resistance protein 1 Activity nan None 10.1074/jbc.273.25.15387
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Peripheral myelin protein 22 Potency 125.8 nM None
Rattus norvegicus Rattus norvegicus Activity 2.76 None 10.1021/jm00159a024
Rattus norvegicus Rattus norvegicus ALB 38300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 38800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 326.6 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 334.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 345.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 354.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 361.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 363.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 392.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 394.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 397.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 406.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 446.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 447.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 483.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 27.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 31.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 31.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 31.8 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 32.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 34.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 37.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 38.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 39.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 40.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 49.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 51.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 55.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 61.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 63.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 64.8 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 65.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 66.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 67.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 68.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 68.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 69.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 69.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 74.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 81.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 96.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 101.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.03 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0533 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0733 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.075 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0933 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.11 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.12 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.14 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.53 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.63 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.9 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 1.1 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 1.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 1.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 3.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 3.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 4.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 130.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 135.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 136.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 143.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 146.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 160.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 161.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 166.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 166.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 105.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 106.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 106.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 606.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 636.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 648.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 663.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 664.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 676.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 680.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 686.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 703.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 836.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 840.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 850.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 870.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 953.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 144.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 158.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 174.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 203.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 219.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 230.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 242.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 274.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 292.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 346.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 449.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 467.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 541.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 732.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 35000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 36000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 39330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 40000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 40670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 42400000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 43000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 46000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 3.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 3.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 4.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.04 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0433 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.06 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.074 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.08 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0867 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.21 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 17.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 21.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 81.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 88.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.66 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.73 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 2.1 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 2.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1400.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1473.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1570.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1573.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1676.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1680.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1730.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1743.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1750.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1766.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1776.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1790.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1868.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1923.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.07 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.93 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.62 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.43 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.42 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 42.37 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 42.57 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 42.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 42.9 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 43.4 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 44.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 44.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 45.06 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 131700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 136000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 137500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 138000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 139000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 139700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 144000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 144300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 145300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 146000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 148300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 151000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 60.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 70.4 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 87.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 97.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 109.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 114.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 115.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 118.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 130.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 174.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 188.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 442.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 538.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 12.4 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 13.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 14.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 16.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 17.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 6.89 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7.08 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7.16 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7.57 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7.99 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8.22 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8.4 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 1620.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 3258.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 10193.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 10522.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11065.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11849.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 74.77 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 77.03 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 77.93 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 78.07 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 80.4 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 80.87 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 81.23 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 84.25 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 92.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 93.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 95.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCCD 14.0 mg kg-1 10.1021/jm00206a003
Rattus norvegicus Rattus norvegicus MCH 20.2 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 20.36 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 20.77 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 20.97 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 21.03 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 21.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 21.67 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.77 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.32 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.7 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.68 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 26.17 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 26.73 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 317000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 317300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 321500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 326000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 330000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 334600.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 341700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 385000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 394300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 398000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 399000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 410000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.7 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.78 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.77 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.63 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.87 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.9 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.08 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.57 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.9 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.37 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 65.53 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 66.3 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 66.43 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 67.8 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.14 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.16 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.2 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.25 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.26 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.35 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 69.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 79.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 165.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 285.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.7 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.73 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.87 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 3.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MTC 14.0 mg kg-1 10.1021/jm00194a005
Rattus norvegicus Rattus norvegicus NEUTLE 4.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 12.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 13.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 13.37 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 14.7 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 15.02 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 16.8 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 18.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 18.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 20.2 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 79.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 475.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 702.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 716.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 730.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 861.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 94.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 102.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 106.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 108.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 108.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 111.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 112.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 115.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 116.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 118.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 118.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 122.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 124.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 126.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1023670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1090800.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1097330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1104330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1147330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1161670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1170500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1193330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1202830.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1293500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1302000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1328670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1341670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1394330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.18 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.51 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.77 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.11 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.13 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.25 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.29 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.3 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.47 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.53 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 7.07 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63600.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 64300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 64700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 65700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 66300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Ratio 1.3 None 10.1021/jm00206a003
Rattus norvegicus Rattus norvegicus RBC 5310000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5390000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5460000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5540000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5660000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5930000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6430000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6550000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6670000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6680000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6820000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7000000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7030000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7410000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.57 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.55 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.93 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.4 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.73 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 0.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 7.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 9.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 10.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 10.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 11.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 13.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 1700.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 3730.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8700.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8940.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9230.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9390.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10440.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11080.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11400.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12300.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Solute carrier family 22 member 2 Activity nan None 10.1093/toxsci/47.2.181
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus WALKER IC50 47.0 nM 10.1016/S0960-894X(97)10152-4
Rattus norvegicus YOSHIDA IC50 7.4 nM 10.1016/S0960-894X(97)10152-4
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 0.0 mm 10.1016/j.ejmech.2010.07.050
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 5.0 mm 10.1016/j.ejmech.2010.07.050
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Activity 5.0 ug 10.1021/jm00194a005
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Activity 100.0 /nmol 10.1021/jm00194a005
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Activity 902.0 None 10.1016/j.bmcl.2014.05.017
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium D50 0.74 10'-5M 10.1021/jm00189a006
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium D50 1.11 10'-5M 10.1021/jm00189a006
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium D50 1.31 10'-5M 10.1021/jm00189a006
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium log(M50) 0.0 None 10.1021/jm00189a006
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium M50 0.0 % 10.1021/jm00189a006
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium M50 4.5 % 10.1021/jm00189a006
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium M50 20.0 % 10.1021/jm00189a006
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 28.27 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Activity nan None 10.1038/s41586-020-2286-9
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 AUC 601.9 None 10.1038/s41586-020-2286-9
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score -0.08012 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 213.8 nM 10.1038/s41586-020-2286-9
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 5.82 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus MIC 5.0 ug.mL-1 10.1021/jm00159a024
Staphylococcus aureus Staphylococcus aureus MIC 20.0 ug.mL-1 10.1021/jm00159a024
Staphylococcus epidermidis Staphylococcus epidermidis MIC 5.0 ug.mL-1 10.1021/jm00159a024
Streptococcus pyogenes Streptococcus pyogenes MIC 5.0 ug.mL-1 10.1021/jm00159a024
Sus scrofa Pancreatic elastase Inhibition nan % 10.1021/jm00093a008
Trypanosoma brucei 6-phospho-1-fructokinase Potency 7943.3 nM None
None ADMET Activity 0.12 U 10.1007/s00044-008-9154-8
None ADMET Activity nan None 10.1016/j.ejmech.2019.05.016
None ADMET AUC 86.0 ug.ml-1 None
None ADMET AUC Ratio 0.3082 None 10.1038/s41586-020-2286-9
None ADMET Change in Tm 10.5 None 10.1021/jm00160a047
None ADMET Clp 59.0 ml.min-1 None
None ADMET Clp 2031.0 ml.min-1 None
None ADMET DC50 0.001 mM 10.1016/j.ejmech.2015.03.011
None ADMET Drug uptake 83.19 % 10.1021/ml3002852
None ADMET Drug uptake nan None 10.1016/j.ejmech.2019.05.016
None ADMET Drug uptake nan None 10.1021/jm200799p
None ADMET Drug uptake nan None 10.1021/ml3002852
None ADMET IC50 44.0 nM 10.1021/jm800403b
None ADMET IC50 1800.0 nM 10.1016/j.bmc.2010.10.054
None ADMET IC50 10500.0 nM 10.1016/j.bmc.2010.10.054
None ADMET Inhibition 28.0 % 10.1016/j.ejmech.2019.05.016
None ADMET Inhibition nan % 10.1007/s00044-008-9154-8
None ADMET Papp 0.4 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 0.5 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 0.9 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 1.6 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 2.1 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 2.7 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 3.2 ucm/s 10.1124/dmd.110.034629
None ADMET permeability 0.3 10'-6 cm/s 10.1021/jm901421c
None ADMET Ratio -16.0 None 10.1124/dmd.110.034629
None ADMET Ratio 0.4 None 10.1124/dmd.110.034629
None ADMET Ratio 1.2 None 10.1124/dmd.110.034629
None ADMET Ratio 2.5 None 10.1124/dmd.110.034629
None ADMET Ratio 3.3 None 10.1124/dmd.110.034629
None ADMET Ratio 9.0 None 10.1124/dmd.110.034629
None ADMET Ratio 19.0 None 10.1124/dmd.110.034629
None ADMET Ratio 27.0 None 10.1124/dmd.110.034629
None ADMET Ratio 33.0 None 10.1124/dmd.110.034629
None ADMET Ratio 69.0 None 10.1124/dmd.110.034629
None ADMET Ratio 83.0 None 10.1124/dmd.110.034629
None ADMET Ratio 86.0 None 10.1124/dmd.110.034629
None ADMET Ratio 165.0 None 10.1124/dmd.110.034629
None ADMET Stability 28.0 % 10.1016/j.bmc.2022.117110
None ADMET Stability 32.0 % 10.1016/j.bmc.2022.117110
None ADMET T1/2 0.08833 hr None
None ADMET T1/2 24.2 hr None
None ADMET TCS50 nan None 10.1021/jm0613572
None ADMET TI 10.0 None 10.1021/jm00195a002
None ADMET Vd 51.0 L.kg-1 None
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None L1210 (1565) T/C 290.0 % 10.1021/jm00171a010
None LXFL 529/11 IC90 30.0 nM 10.1016/S0960-894X(97)00069-3
None NON-PROTEIN TARGET Activity 80.0 % 10.1021/ml3002852
None NON-PROTEIN TARGET Activity nan None 10.1021/ml3002852
None NON-PROTEIN TARGET EC50 58.0 nM 10.1021/jm000073t
None NON-PROTEIN TARGET EC50 220.0 nM 10.1021/jm000073t
None NON-PROTEIN TARGET GI 24.4 % 10.1016/j.ejmech.2012.03.016
None NON-PROTEIN TARGET GI50 44.0 nM 10.1016/j.bmc.2009.11.012
None NON-PROTEIN TARGET GI50 100.0 nM 10.1016/j.ejmech.2015.04.004
None NON-PROTEIN TARGET GI50 38000.0 nM 10.1016/j.ejmech.2015.04.004
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 3.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 68.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET IC50 0.022 None 10.1021/jm00163a028
None NON-PROTEIN TARGET IC50 0.08 None 10.1021/jm00163a028
None NON-PROTEIN TARGET IC50 7.9 ug.mL-1 10.1016/j.bmc.2011.03.055
None NON-PROTEIN TARGET IC50 11.6 ug.mL-1 10.1016/j.bmc.2011.03.055
None NON-PROTEIN TARGET IC50 20.0 nM 10.1021/jm00093a008
None NON-PROTEIN TARGET IC50 20.0 nM 10.1021/jm061348t
None NON-PROTEIN TARGET IC50 96.0 nM 10.1016/j.bmc.2014.11.015
None NON-PROTEIN TARGET IC50 100.0 ug.mL-1 10.1021/np900109y
None NON-PROTEIN TARGET IC50 400.0 nM 10.1021/jm061348t
None NON-PROTEIN TARGET IC50 1900.0 nM 10.1021/ml3002852
None NON-PROTEIN TARGET IC50 16200.0 nM 10.1016/j.bmc.2010.02.046
None NON-PROTEIN TARGET IC50 18620.87 nM 10.1016/j.bmc.2007.07.024
None NON-PROTEIN TARGET IC50 25500.0 nM 10.1021/ml3002852
None NON-PROTEIN TARGET IC50 nan nM 10.1016/S0960-894X(97)10152-4
None NON-PROTEIN TARGET ID50 309.0 ng ml-1 10.1021/jm9910472
None NON-PROTEIN TARGET MIC 0.6 ug.mL-1 10.1021/np049826v
None NON-PROTEIN TARGET Ratio nan None 10.1021/jm980696v
None NON-PROTEIN TARGET TCS50 nan None 10.1021/jm0613572
None No relevant target LogD 0.66 None 10.1021/jm00160a047
None No relevant target LogD 0.66 None 10.1021/jm00169a014
None No relevant target Log Kmemb 1.4 None 10.1021/jm0309001
None No relevant target LogP 0.1 None 10.1016/j.ejmech.2009.12.043
None No relevant target LogP 0.66 None 10.1021/jm00369a019
None No relevant target LogP 0.82 None 10.1021/jm00206a003
None No relevant target P 4.5 None 10.1021/jm00163a028
None Nucleic Acid Activity nan None 10.1021/np50078a006
None Nucleic Acid Activity nan None 10.1038/nchembio723
None Nucleic Acid Delta Tm 11.2 degrees C 10.1021/jm00343a004
None Nucleic Acid IC50 30.0 ug.mL-1 10.1021/np50089a004
None Nucleic Acid Inhibition 19.0 % 10.1016/j.bmcl.2011.12.103
None Nucleic Acid K 1.5e-06 M 10.1021/jm00163a028
None Nucleic Acid K 7.09 10'5/M 10.1016/j.bmc.2012.09.068
None Nucleic Acid Ka 3.1e-07 M-1 10.1021/jm00185a003
None Nucleic Acid Kd 1.28 None 10.1021/jm00159a024
None Nucleic Acid Log Kd 6.49 None 10.1021/jm00370a007
None Nucleic Acid Maximal binding 0.16 None 10.1021/jm00185a003
None Poly(dA-dT)oligonucleotide Delta Tm 21.9 degrees C 10.1016/j.bmcl.2011.02.106
None Unchecked Ac50 2.432 uM None
None Unchecked Ac50 2.728 uM None
None Unchecked Ac50 5.012 uM None
None Unchecked Ac50 7.079 uM None
None Unchecked AC50 5011.9 nM None
None Unchecked AC50 7079.5 nM None
None Unchecked AC50 nan None 10.1016/j.ejmech.2015.04.004
None Unchecked Activity 2.2 uM 10.1021/jm3017317
None Unchecked Activity 40.0 % 10.1021/acs.jmedchem.0c02157
None Unchecked Activity nan None 10.1016/j.ejmech.2010.07.050
None Unchecked Activity nan None 10.1021/jm00218a013
None Unchecked Activity nan None 10.1021/jm00219a002
None Unchecked Activity nan None 10.1021/np960144k
None Unchecked GI50 10.0 nM 10.1021/acs.jmedchem.7b00788
None Unchecked GI50 361.0 nM 10.1021/acs.jmedchem.7b00788
None Unchecked GI50 575.0 nM 10.1021/acs.jmedchem.7b00788
None Unchecked Hepatotoxicity (acute) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 6.1 nM None
None Unchecked IC50 8.05 nM None
None Unchecked IC50 10.16 nM None
None Unchecked IC50 25.8 nM 10.1016/j.ejmech.2019.05.016
None Unchecked IC50 26.7 nM 10.1016/j.ejmech.2019.05.016
None Unchecked IC50 28.0 ug.mL-1 10.1016/j.ejmech.2007.02.014
None Unchecked IC50 38.18 nM 10.1016/j.bmcl.2003.12.015
None Unchecked IC50 44.3 nM 10.1016/j.ejmech.2019.05.016
None Unchecked IC50 46.45 nM None
None Unchecked IC50 50.86 nM None
None Unchecked IC50 55.38 nM None
None Unchecked IC50 93.6 nM 10.1016/j.ejmech.2019.05.016
None Unchecked IC50 118.15 nM None
None Unchecked IC50 140.0 nM 10.1021/ml3002852
None Unchecked IC50 188.04 nM None
None Unchecked IC50 210.0 nM 10.1016/j.ejmech.2017.09.009
None Unchecked IC50 337.6 nM None
None Unchecked IC50 369.1 nM None
None Unchecked IC50 373.8 nM None
None Unchecked IC50 648.46 nM None
None Unchecked IC50 840.0 nM 10.1021/ml3002852
None Unchecked IC50 1100.0 nM 10.1021/jm3017317
None Unchecked IC50 1465.78 nM None
None Unchecked IC50 9247.6 nM None
None Unchecked IC50 9604.6 nM None
None Unchecked IC50 nan None None
None Unchecked K 4.6 10'4/M 10.1021/jm1007853
None Unchecked K 6.4 10'4/M 10.1021/jm1007853
None Unchecked Kb 1.3 10'5/M 10.1016/j.bmc.2019.115131
None Unchecked Kb 6.3 10'5/M 10.1016/j.bmc.2019.115131
None Unchecked Ki nan None None
None Unchecked Log CR 1.46 None 10.1021/jm00169a014
None Unchecked Oxidation 33.0 uM min-1 10.1021/jm00053a005
None Unchecked Potency 398.1 nM None
None Unchecked Potency 631.0 nM None
None Unchecked Potency 891.3 nM None
None Unchecked Potency 1000.0 nM None
None Unchecked Potency 3162.3 nM None
None Unchecked Potency 5645.4 nM None
None Unchecked Potency 6309.6 nM None
None Unchecked Potency 11264.1 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Potency 68530.8 nM None
None Unchecked RatioGI50 11.0 None 10.1021/acs.jmedchem.7b00788
None Unchecked RatioGI50 20.0 None 10.1021/acs.jmedchem.7b00788
None Unchecked RatioGI50 54.0 None 10.1021/acs.jmedchem.7b00788
None Unchecked Ratio IC50 0.2 None 10.1016/j.ejmech.2019.01.001
None Unchecked Ratio IC50 0.3 None 10.1016/j.ejmech.2019.01.001
None Unchecked RF 295.7 None 10.1016/0960-894X(96)00457-X

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004486 CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O.C[33S]>>COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 None
AKRT004487 CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O.C[SAH]>>COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 R06693
AKRT011962 COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)CC[C@H](N)C(=O)O)[C@H](O)[C@H](C)O1 enzymemap_32916
AKRT011963 COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1>>COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 RXN-14855
AKRT011964 COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1>>COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 63504
AKRT011965 COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1>>COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 R06694
AKRT011966 COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1>>COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 RXN-14830
AKRT011967 COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](C)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1>>COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 MNXR131025
AKRT011969 COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1>>COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 enzymemap_1322