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name Structure Reference Source Properties Activities Metabolism

2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole

AlkaPlorer ID: AK037550

Synonym: None

IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

Structure

SMILES: CC1=C(CS(=O)C2=NC3=CC=CC=C3N2)N=CC=C1OCC(F)(F)F

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InChI: InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)

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InChIKey: MJIHNNLFOKEZEW-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Centaurea sicula Centaurea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 369.3680000000001

TPSA？: 67.87

MolLogP？: 3.515220000000002

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 5.8 % 10.6019/CHEMBL4513141
Acinetobacter baumannii Acinetobacter baumannii MIC 20000.0 nM 10.6019/CHEMBL4513161
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 12589.3 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 22387.2 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 28183.8 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 29620.3 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 41839.8 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 50118.7 nM None
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans Inhibition 9.31 % 10.6019/CHEMBL4513141
Candida albicans Candida albicans MIC 20000.0 nM 10.6019/CHEMBL4513161
Canis lupus familiaris Canis familiaris Inhibition nan % 10.1016/j.bmc.2012.04.014
Canis lupus familiaris Canis familiaris Inhibition nan % 10.1016/j.bmc.2017.04.014
Canis lupus familiaris Canis familiaris Inhibition nan % 10.1021/jm300318t
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
Cryptococcus neoformans Cryptococcus neoformans Inhibition -23.82 % 10.6019/CHEMBL4513141
Cryptococcus neoformans Cryptococcus neoformans MIC 20000.0 nM 10.6019/CHEMBL4513161
Entamoeba histolytica Entamoeba histolytica IC50 346.6 nM 10.1016/j.bmcl.2011.10.028
Escherichia coli Escherichia coli Inhibition -0.87 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli MIC 20000.0 nM 10.6019/CHEMBL4513161
Escherichia coli K-12 Beta-lactamase AmpC Inhibition 5.0 % 10.1021/jm030191r
Escherichia coli K-12 Beta-lactamase AmpC Potency 89125.1 nM None
Giardia intestinalis Giardia intestinalis IC50 73.1 nM 10.1016/j.bmcl.2011.10.028
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 9976.3 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 19905.4 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 25059.4 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 14125.4 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 22387.2 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 25118.9 nM None
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 16820.2 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 30000.0 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 7770.0 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 AGS IC50 149000.0 nM 10.1016/j.bmcl.2015.04.095
Homo sapiens AGS IC50 162000.0 nM 10.1021/np900822x
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 14125.4 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 28183.8 nM None
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 10000.0 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 10000.0 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 Alpha-galactosidase A Potency 5011.9 nM None
Homo sapiens Alpha-synuclein Potency 29092.9 nM None
Homo sapiens Amyloid-beta A4 protein Potency 29092.9 nM 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 Potency 25118.9 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 25118.9 nM None
Homo sapiens Ataxin-2 Potency 2818.4 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 20596.2 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 29081.0 nM None
Homo sapiens ATP-binding cassette sub-family G member 2 IC50 14400.0 nM 10.1016/j.ejmech.2022.114346
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 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 10000.0 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 135000.0 nM 10.1093/toxsci/kfq269
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 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 Bromodomain adjacent to zinc finger domain protein 2B Potency 35481.3 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 89125.1 nM None
Homo sapiens BXPC-3 Activity nan None 10.1021/jm501543u
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity 34.0 % 10.1021/jm7015683
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 2 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 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 Cholecystokinin A receptor AC50 30000.0 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 21980.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholesterol 24-hydroxylase Activity 86.0 % None
Homo sapiens Chromobox protein homolog 1 Potency 26679.5 nM None
Homo sapiens Chymotrypsin Inhibition 5.66 % 10.6019/CHEMBL4495564
Homo sapiens Chymotrypsin Inhibition 6.43 % 10.6019/CHEMBL4495564
Homo sapiens Chymotrypsin C Inhibition 5.0 % 10.1021/jm030191r
Homo sapiens Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 30000.0 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 15848.93 nM None
Homo sapiens Cytochrome P450 1A2 Activity nan None None
Homo sapiens Cytochrome P450 1A2 IC50 6460.0 nM 10.1124/dmd.111.043505
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 100.0 nM None
Homo sapiens Cytochrome P450 2C19 Activity nan None None
Homo sapiens Cytochrome P450 2C19 IC50 336.7 nM None
Homo sapiens Cytochrome P450 2C19 IC50 13400.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2C19 Inhibition 86.0 % 10.1021/jm501203v
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C19 Potency 100.0 nM None
Homo sapiens Cytochrome P450 2C19 Potency 1258.9 nM None
Homo sapiens Cytochrome P450 2C8 IC50 5750.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 IC50 19200.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2C9 Potency 39810.7 nM None
Homo sapiens Cytochrome P450 2D6 AC50 12589.25 nM None
Homo sapiens Cytochrome P450 2D6 IC50 2900.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2D6 IC50 5314.8 nM None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2D6 Potency 12589.3 nM None
Homo sapiens Cytochrome P450 2D6 Potency 31622.8 nM None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 2J2 Activity 0.7 % 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2J2 Activity 71.1 % 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2J2 IC50 50000.0 nM 10.1124/dmd.112.048264
Homo sapiens Cytochrome P450 3A4 AC50 15848.93 nM None
Homo sapiens Cytochrome P450 3A4 IC50 30000.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Potency 15848.9 nM None
Homo sapiens Cytochrome P450 3A4 Potency 25118.9 nM None
Homo sapiens Delta opioid receptor AC50 8300.0 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 Dopamine D1 receptor AC50 10000.0 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 10000.0 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 10000.0 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 AC50 2106.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 10000.0 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 Endo-beta-N-acetylglucosaminidase IC50 24380.0 nM 10.1016/j.bmcl.2017.05.010
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 501.2 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 1995.3 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 15848.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 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 Endothelin receptor ET-B AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Fatty acid synthase IC50 46700.0 nM 10.1021/jm501543u
Homo sapiens Fatty acid synthase IC50 93000.0 nM 10.1021/jm501543u
Homo sapiens Fatty acid synthase IC50 124000.0 nM 10.1021/jm501543u
Homo sapiens Fatty acid synthase Inhibition nan % 10.1021/acs.jmedchem.2c00642
Homo sapiens Fatty acid synthase Inhibition nan % 10.1021/jm501543u
Homo sapiens Fatty acid synthase Ki 1700.0 nM 10.1021/acs.jmedchem.2c00642
Homo sapiens Fatty acid synthase Ki 5300.0 nM 10.1021/jm501543u
Homo sapiens GABA-B receptor 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 1258.9 nM None
Homo sapiens Ghrelin receptor AC50 9670.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 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 HEK293 CC50 20000.0 nM 10.6019/CHEMBL4513161
Homo sapiens HEK293 Potency 1157.7 nM None
Homo sapiens HEK293 Potency 17782.8 nM None
Homo sapiens HEK-293T Activity nan None 10.1016/j.bmcl.2012.10.010
Homo sapiens HepG2 IC50 221000.0 nM 10.1021/np900822x
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 10000.0 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 8523.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 10000.0 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 Histone deacetylase 6 Inhibition -46.91 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 6.18 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase 2A/WDR5 IC50 5900.0 nM 10.1016/j.ejmech.2019.112027
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 22.4 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 281.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 502.4 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 3548.1 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 6701.6 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 7943.3 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Activity 0.85 % 10.1016/j.ejmech.2009.11.034
Homo sapiens Homo sapiens CL 4.4 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 4.4 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.04 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.044 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 3.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens F 80.0 % 10.1016/j.bmc.2007.08.060
Homo sapiens Homo sapiens Fa 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.85 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 1.05 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.81 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 0.28 L.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 0.35 L.kg-1 10.1016/j.ejmech.2009.06.004
Homo sapiens HUVEC GI50 100000.0 nM 10.1016/j.ejmech.2019.112027
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 7943.3 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 15848.9 nM None
Homo sapiens Insulin-degrading enzyme Inhibition 38.0 % 10.1016/j.ejmech.2019.06.057
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 K562 GI50 100000.0 nM 10.1016/j.ejmech.2019.112027
Homo sapiens Kappa opioid receptor AC50 4882.4 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 L02 GI50 100000.0 nM 10.1016/j.ejmech.2019.112027
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 Lysine-specific demethylase 4A Potency 3981.1 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 14125.4 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 22387.2 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 31622.8 nM None
Homo sapiens Lysosomal alpha-glucosidase Potency 12589.3 nM None
Homo sapiens Malate dehydrogenase cytoplasmic Inhibition 5.0 % 10.1021/jm030191r
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 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 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens MDA-MB-231 Activity nan None 10.1021/acs.jmedchem.2c00642
Homo sapiens MDA-MB-436 Activity nan None 10.1021/acs.jmedchem.2c00642
Homo sapiens MDA-MB-468 Activity nan None 10.1021/acs.jmedchem.2c00642
Homo sapiens Melanocortin receptor 3 AC50 30000.0 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 microRNA 21 Potency 6561.4 nM None
Homo sapiens microRNA 21 Potency 10399.2 nM None
Homo sapiens Microtubule-associated protein tau Ki 2.5 nM 10.1021/ml300216t
Homo sapiens Microtubule-associated protein tau Potency 10000.0 nM None
Homo sapiens Microtubule-associated protein tau Potency 15848.9 nM None
Homo sapiens Microtubule-associated protein tau Potency 19952.6 nM None
Homo sapiens Microtubule-associated protein tau Potency 25118.9 nM None
Homo sapiens Microtubule-associated protein tau Potency 28183.8 nM None
Homo sapiens Microtubule-associated protein tau Potency 44668.4 nM None
Homo sapiens MOLM-13 GI50 30100.0 nM 10.1016/j.ejmech.2019.112027
Homo sapiens Monoamine oxidase A AC50 10000.0 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 Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens M-phase phosphoprotein 8 Potency 23778.1 nM None
Homo sapiens M-phase phosphoprotein 8 Potency 79432.8 nM None
Homo sapiens MRC5 IC50 306000.0 nM 10.1021/np900822x
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 4000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 4200.0 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 10000.0 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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 10000.0 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 MV4-11 GI50 21100.0 nM 10.1016/j.ejmech.2019.112027
Homo sapiens NAD(+) hydrolase SARM1 Inhibition nan % None
Homo sapiens Neurokinin 1 receptor AC50 17152.2 nM 10.1038/s41467-023-40064-9
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 Neuropeptide Y receptor type 1 AC50 24469.8 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 IC50 51000.0 nM None
Homo sapiens N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 Inhibition nan % None
Homo sapiens Niemann-Pick C1 protein Potency 2310.9 nM None
Homo sapiens Niemann-Pick C1 protein Potency 2818.4 nM None
Homo sapiens Niemann-Pick C1 protein Potency 3981.1 nM None
Homo sapiens Norepinephrine transporter AC50 10000.0 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 Nuclear factor erythroid 2-related factor 2 Potency 29092.9 nM None
Homo sapiens PANC-1 Activity nan None 10.1021/jm501543u
Homo sapiens PANC-1 Inhibition nan % 10.1021/jm501543u
Homo sapiens Peripheral myelin protein 22 Potency 95283.4 nM None
Homo sapiens P-glycoprotein 1 Activity nan None 10.1007/s00210-001-0489-7
Homo sapiens P-glycoprotein 1 IC50 62800.0 nM 10.1007/s00210-001-0489-7
Homo sapiens Phosphatidylinositol-5-phosphate 4-kinase type-2 alpha Potency 22387.2 nM None
Homo sapiens Phosphodiesterase 3A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 10000.0 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 Phosphoethanolamine/phosphocholine phosphatase IC50 434.0 nM None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Potassium-transporting ATPase IC50 398.11 nM 10.1021/jm00084a010
Homo sapiens Prelamin-A/C Potency 125.9 nM None
Homo sapiens Prelamin-A/C Potency 19952.6 nM None
Homo sapiens Prelamin-A/C Potency 35481.3 nM None
Homo sapiens Progesterone receptor AC50 30000.0 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 Ras-related protein Rab-9A Potency 2310.9 nM None
Homo sapiens Ras-related protein Rab-9A Potency 3162.3 nM None
Homo sapiens Ras-related protein Rab-9A Potency 3981.1 nM None
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 Regulator of G-protein signaling 4 Potency 16833.6 nM None
Homo sapiens Serine/threonine-protein kinase PLK1 Potency 26679.5 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 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 10000.0 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 2300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor AC50 10000.0 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 7 (5-HT7) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 10000.0 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 Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Sodium channel protein type V alpha subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Sodium/potassium-transporting ATPase IC50 39810.72 nM 10.1021/jm00084a010
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 31.4 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 95.47 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 23.3 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 100.47 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition -75.7 % 10.1021/jm300212s
Homo sapiens Thromboxane A2 receptor AC50 3460.0 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 stimulating hormone receptor Potency 125.9 nM None
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 9441.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 10322.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 15848.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 20596.2 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 21136.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23109.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 12589.3 nM None
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 10000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vitamin D receptor Potency 25118.9 nM None
Homo sapiens Vitamin D receptor Potency 44668.4 nM None
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 7.47 % 10.6019/CHEMBL4513141
Klebsiella pneumoniae Klebsiella pneumoniae MIC 20000.0 nM 10.6019/CHEMBL4513161
Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) Replicase polyprotein 1ab IC50 10000.0 nM 10.6019/CHEMBL4495564
Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) Replicase polyprotein 1ab Inhibition 47.0 % 10.6019/CHEMBL4495564
Mus musculus Indoleamine 2,3-dioxygenase 1 IC50 94000.0 nM 10.1016/j.bmcl.2012.10.010
Mus musculus Indoleamine 2,3-dioxygenase 2 IC50 8200.0 nM 10.1016/j.bmcl.2012.10.010
Mus musculus Mus musculus Activity 74.0 % 10.1016/j.bmcl.2016.10.056
Mus musculus Mus musculus Activity 80.0 % 10.1021/np900822x
Mus musculus Mus musculus Inhibition 57.0 % 10.1016/j.bmcl.2015.04.095
Mus musculus Mus musculus Inhibition 57.0 % 10.1016/j.bmcl.2016.05.081
Mus musculus Mus musculus Inhibition 63.0 % 10.1007/s00044-011-9654-9
Mus musculus Mus musculus Inhibition 64.0 % 10.1016/j.ejmech.2014.10.023
Mus musculus Mus musculus Inhibition 65.0 % 10.1016/j.bmcl.2015.04.095
Mus musculus Mus musculus UI 16.1 mm 10.1016/j.bmcl.2016.05.081
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 11220.2 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 15848.9 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 35481.3 nM None
Mus musculus Tryptophan 2,3-dioxygenase Inhibition 20.0 % 10.1016/j.bmcl.2012.10.010
Mycobacterium tuberculosis Mycobacterium tuberculosis IC50 2200.0 nM 10.1016/j.ejmech.2018.03.020
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 13459.1 nM None
Plasmodium falciparum Plasmodium falciparum IC50 10000.0 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 11000.0 nM 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum IC50 12589.25 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum Potency 1041.8 nM None
Plasmodium falciparum Plasmodium falciparum Potency 3696.4 nM None
Plasmodium falciparum Plasmodium falciparum Potency 5358.2 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 11.72 % 10.6019/CHEMBL4513141
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 20000.0 nM 10.6019/CHEMBL4513161
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 30000.0 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 Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 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 Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 56.2 nM None
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 14381.8 nM None
Rattus norvegicus Plasma Fu 0.021 None 10.1021/jm901371v
Rattus norvegicus Plasma logFu 0.03 None 10.1016/j.ejmech.2009.06.004
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 43000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 272.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 288.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 333.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 387.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 36.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 39.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 48.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 52.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 76.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 81.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 83.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 84.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.3 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 BUN 136.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 163.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 166.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 106.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 513.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 553.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 813.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 820.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 144.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 222.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 222.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 302.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 22330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 28000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 28330000.0 nM 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 2.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 3.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 38.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1386.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1470.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1590.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1620.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.9 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.37 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 129000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 136700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1016/j.bmc.2017.04.014
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1021/jm300318t
Rattus norvegicus Rattus norvegicus LDH 71.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 91.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 157.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 455.33 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 12.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 13.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11302.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12566.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13053.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 15467.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 93.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 94.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.33 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.47 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.73 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 363000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 371700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 375300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 378000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.7 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.53 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.3 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 66.5 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 38.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 222.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 465.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 599.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 3.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 5.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 588.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 690.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1302.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1467.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus pH 5.0 None 10.1016/j.bmc.2017.04.014
Rattus norvegicus Rattus norvegicus PHOS 104.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 122.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 123.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 141.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1179670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1374000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1375670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1408000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.7 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.71 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.81 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 7.1 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 55300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 55700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 57300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5490000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5540000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5810000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5820000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.33 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.4 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 147.6 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 148.63 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 12.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 19.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11970.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13970.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 17530.0 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 Thioredoxin reductase 1, cytoplasmic Potency 1258.9 nM None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 23109.3 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab IC50 390.0 nM 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab IC50 1600.0 nM 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab IC50 relative 1.607 uM 10.6019/EOS300041
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab IC50 relative 20.0 uM 10.6019/EOS300044
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 98.98 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 99.94 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 103.13 % 10.6019/CHEMBL4495564
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 0.19 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.3 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.69 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 19.31 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.8151 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Inhibition 16.66 % 10.6019/CHEMBL4513141
Staphylococcus aureus Staphylococcus aureus MIC 20000.0 nM 10.6019/CHEMBL4513161
Trichomonas vaginalis Trichomonas vaginalis IC50 121.8 nM 10.1016/j.bmcl.2011.10.028
Trichomonas vaginalis Trichomonas vaginalis IC50 121.8 nM 10.1016/j.ejmech.2017.11.029
Trypanosoma brucei 6-phospho-1-fructokinase Potency 33.8 nM None
Trypanosoma cruzi Dm28c Aminopeptidase Inhibition 7.279 % 10.6019/CHEMBL5305021
None ADMET CL 4.4 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET delta logD nan None 10.1021/jm0000564
None ADMET F 80.0 % 10.1021/jm0000564
None ADMET IC50 291000.0 nM 10.1016/j.bmcl.2015.04.095
None ADMET log10(%HIA +10) 1.978 None 10.1016/j.ejmech.2010.11.005
None ADMET Log k'o 1.1 None 10.1021/jm00025a008
None ADMET MRT 1.1 hr 10.1124/dmd.108.020479
None ADMET PPB 98.4 % 10.6019/CHEMBL3301361
None ADMET T1/2 0.06667 hr 10.1021/jm00084a010
None ADMET T1/2 0.28 hr 10.1021/jm9605593
None ADMET T1/2 1.0 hr 10.1124/dmd.108.020479
None ADMET T1/2 1.1 hr 10.1021/jm00084a010
None ADMET T1/2 6.08 hr 10.1021/jm9605593
None ADMET T1/2 13.0 hr 10.1021/jm00025a008
None ADMET T1/2 40.0 hr 10.1021/jm00084a010
None ADMET Vdss 0.28 L.kg-1 10.1124/dmd.108.020479
None Erythrocyte HC10 20.0 uM 10.6019/CHEMBL4513161
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 0.5 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 1.1 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 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 4.0 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 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 1.0 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 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 0.5 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 0.9 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 1.2 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET Activity nan None 10.1021/jm501543u
None NON-PROTEIN TARGET Fu 0.021 None 10.1124/dmd.108.020479
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) 7.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 10.5 % 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 6710.0 nM 10.1021/jm501543u
None NON-PROTEIN TARGET Inhibition nan % 10.1021/jm501543u
None NON-PROTEIN TARGET Potency 66.8 nM None
None NON-PROTEIN TARGET Potency 8912.5 nM None
None NON-PROTEIN TARGET Potency 10000.0 nM None
None NON-PROTEIN TARGET Potency 10583.9 nM None
None NON-PROTEIN TARGET Potency 11220.2 nM None
None NON-PROTEIN TARGET Potency 12589.3 nM None
None NON-PROTEIN TARGET Potency 14950.2 nM None
None No relevant target LogD 1.73 None 10.1021/jm0000564
None No relevant target LogD7.4 2.7 None 10.6019/CHEMBL3301361
None No relevant target LogP 1.47 None 10.1021/ml300216t
None No relevant target pKa 4.0 None 10.1016/j.bmc.2006.07.068
None No relevant target pKa 4.01 None 10.1021/jm00084a010
None No relevant target pKa 8.78 None 10.1021/jm00084a010
None No relevant target pKa 11.16 None 10.1124/dmd.112.050278
None No relevant target pKa nan None 10.1021/jm0000564
None No relevant target pKabz 8.7 None 10.1021/jm00025a008
None No relevant target pKapy 3.9 None 10.1021/jm00025a008
None Unchecked Ac50 0.3162 uM None
None Unchecked Ac50 0.7943 uM None
None Unchecked Ac50 1.259 uM None
None Unchecked Ac50 1.585 uM None
None Unchecked Ac50 2.818 uM None
None Unchecked AC50 316.2 nM None
None Unchecked AC50 794.3 nM None
None Unchecked AC50 1260.0 nM None
None Unchecked AC50 1584.9 nM None
None Unchecked AC50 2818.4 nM None
None Unchecked Activity nan None 10.1021/acs.jmedchem.2c00642
None Unchecked Control 29.0 % 10.1021/jm00025a008
None Unchecked Control 103.0 % 10.1021/jm00025a008
None Unchecked Control 105.0 % 10.1021/jm00025a008
None Unchecked Hepatotoxicity (acute) 4.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 1.0 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) 3.0 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) 1.0 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 100000.0 nM None
None Unchecked IC50 nan None None
None Unchecked Inhibition nan % 10.1016/j.bmc.2017.04.014
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.2c00642
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Inhibition nan % None
None Unchecked Ki nan None None
None Unchecked Potency 2059.6 nM None
None Unchecked Potency 2310.0 nM None
None Unchecked Potency 3162.3 nM None
None Unchecked Potency 3548.1 nM None
None Unchecked Potency 3981.1 nM None
None Unchecked Potency 4466.8 nM None
None Unchecked Potency 6309.6 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 17782.8 nM None
None Unchecked Potency 23109.3 nM None
None Unchecked Potency 29092.9 nM None
None Unchecked Potency 35481.3 nM None

Metabolism Information