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Dactinomycin

AlkaPlorer ID: AK002109

Synonym: None

IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide

Structure

SMILES: CC1=C2OC3=C(C)C=CC(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)=C3N=C2C(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)=C(N)C1=O

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InChI: InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1

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InChIKey: RJURFGZVJUQBHK-IIXSONLDSA-N

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Properties Information

Molecule Weight: 1255.4379999999994

TPSA？: 359.98

MolLogP？: 0.7256400000000032

Number of H-Donors: 5

Number of H-Acceptors: 18

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus spizizenii Bacillus spizizenii IZ 8.5 mm 10.1021/jm00205a004
Bacillus spizizenii Bacillus spizizenii IZ 11.1 mm 10.1021/jm00205a004
Bacillus spizizenii Bacillus spizizenii IZ 14.3 mm 10.1021/jm00205a004
Bacillus spizizenii Bacillus spizizenii IZ 14.5 mm 10.1021/jm00205a004
Bacillus spizizenii Bacillus spizizenii IZ 16.6 mm 10.1021/jm00205a004
Bacillus spizizenii Bacillus spizizenii IZ 18.2 mm 10.1021/jm00205a004
Bacillus spizizenii Bacillus spizizenii MIC 0.002 ug.mL-1 10.1021/acs.jnatprod.6b00742
Bacillus subtilis Bacillus subtilis ID50 0.05 ug ml-1 10.1021/jm00228a006
Bacillus subtilis Bacillus subtilis IZ 55.0 mm 10.1021/np060063g
Bacillus subtilis Bacillus subtilis MIC 0.09 ug.mL-1 10.1021/jm00108a009
Bacillus subtilis Bacillus subtilis MIC 0.09 ug.mL-1 10.1021/jm00228a006
Bacillus subtilis Bacillus subtilis MIC 0.78 ug.mL-1 10.1021/np990416u
Bacillus subtilis Bacillus subtilis MIC 100.0 ug.mL-1 10.1021/np0602057
Bacillus thuringiensis Bacillus thuringiensis MIC 0.06 ug.mL-1 10.1021/acs.jnatprod.1c00294
Bacteria Bacterial DNA-directed RNA polymerase IC50 0.2 ug.mL-1 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 7.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 16.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 17.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 30.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 44.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 54.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 61.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 62.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 72.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 79.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 89.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 92.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 93.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 95.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 96.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 99.0 % 10.1021/jm00195a008
Bacteria Bacterial DNA-directed RNA polymerase Inhibition 100.0 % 10.1021/jm00195a008
Bos taurus Bos taurus Delta Tm 7.1 None 10.1021/jm00141a007
Bos taurus Bos taurus Tm 7.1 None 10.1021/jm00403a010
Bos taurus Calf thymus DNA Activity 30.0 % 10.1021/jm00205a004
Bos taurus Calf thymus DNA Activity 30.0 % 10.1021/np50078a006
Bos taurus Calf thymus DNA Activity 70.0 % 10.1021/jm00205a004
Bos taurus Calf thymus DNA Activity 85.0 % 10.1021/jm00205a004
Bos taurus Calf thymus DNA Activity nan None 10.1021/jm00195a008
Bos taurus Calf thymus DNA Activity nan None 10.1021/jm00205a004
Bos taurus Calf thymus DNA Activity nan None 10.1021/jm00228a006
Bos taurus Calf thymus DNA Bapp 0.108 None 10.1021/jm00141a007
Bos taurus Calf thymus DNA Delta Tm 7.1 degrees C 10.1021/jm00194a006
Bos taurus Calf thymus DNA Delta Tm 7.1 degrees C 10.1021/jm00218a013
Bos taurus Calf thymus DNA Delta Tm 8.7 degrees C 10.1021/jm00195a008
Bos taurus Calf thymus DNA IC50 35000.0 nM 10.1016/j.bmcl.2006.05.065
Bos taurus Calf thymus DNA Ka 1.56 10'6/M 10.1021/jm00205a004
Bos taurus Calf thymus DNA K app 230000000.0 M-1 10.1021/jm00141a007
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans MIC 0.06 ug.mL-1 10.1021/acs.jnatprod.1c00294
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 1.0 nM 10.1021/np050240y
Chlorocebus sabaeus Vero IC50 10.0 nM 10.1016/j.bmcl.2014.03.051
Chlorocebus sabaeus Vero IC50 11.0 nM 10.1016/j.ejmech.2017.09.004
Chlorocebus sabaeus Vero IC50 71.0 nM 10.1016/j.ejmech.2012.05.032
Chlorocebus sabaeus Vero IC50 71.0 nM 10.1016/j.ejmech.2017.09.004
Chlorocebus sabaeus Vero IC50 71.0 nM 10.1021/np050240y
Chlorocebus sabaeus Vero IC50 72.0 nM 10.1016/j.bmcl.2014.03.051
Chlorocebus sabaeus Vero IC50 11000.0 nM 10.1016/j.ejmech.2010.10.023
Chlorocebus sabaeus Vero IC50 11000.0 nM 10.1021/jm050772b
Chlorocebus sabaeus Vero Ratio IC50 0.4 None 10.1016/j.bmcl.2014.03.051
Chlorocebus sabaeus Vero Ratio IC50 1.6 None 10.1016/j.bmcl.2014.03.051
Chlorocebus sabaeus Vero Ratio IC50 3.0 None 10.1016/j.ejmech.2012.05.032
Cyberlindnera jadinii Cyberlindnera jadinii Activity nan None 10.1021/np50055a002
Electrophorus electricus Acetylcholinesterase Inhibition -2.56 % 10.1016/j.bmc.2012.09.040
Enterococcus faecalis Enterococcus faecalis MIC 0.06 ug.mL-1 10.1021/acs.jnatprod.1c00294
Enterococcus faecium Enterococcus faecium MIC 0.13 ug.mL-1 10.1021/acs.jnatprod.1c00294
Equus caballus Cholinesterase Inhibition 3.31 % 10.1016/j.bmc.2012.09.040
Equus caballus Ferritin light chain Potency 31622.8 nM None
Escherichia coli Escherichia coli IZ 20.0 mm 10.1021/np060063g
Escherichia coli Escherichia coli MIC 9.57 ug.mL-1 10.1021/acs.jnatprod.6b00742
Escherichia coli K-12 DNA-directed RNA polymerase beta chain K app 2.3e-05 M-1 10.1021/jm00357a025
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 7062.7 nM None
Homo sapiens 5637 IC50 3.0 nM 10.1021/jm020913z
Homo sapiens 5637 IC50 3.0 nM 10.1021/jm020918w
Homo sapiens 5637 IC50 3.0 nM 10.1021/jm050745l
Homo sapiens A2780 Activity 0.0017 uM 10.1021/np0504107
Homo sapiens A2780 IC50 0.001 ug.mL-1 10.1021/np020578h
Homo sapiens A2780 IC50 0.001 ug.mL-1 10.1021/np040058h
Homo sapiens A2780 IC50 0.001 ug.mL-1 10.1021/np049639x
Homo sapiens A2780 IC50 0.001 ug.mL-1 10.1021/np050376w
Homo sapiens A2780 IC50 0.002 ug.mL-1 10.1021/np0201220
Homo sapiens A2780 IC50 0.8 nM 10.1021/np049629w
Homo sapiens A2780 IC50 0.8 nM 10.1021/np050202e
Homo sapiens A-375 Inhibition 0.7 % 10.1016/j.bmcl.2009.06.063
Homo sapiens A549 Activity 0.0 % 10.1021/acs.jnatprod.9b01015
Homo sapiens A549 Activity 40.0 % 10.1016/j.ejmech.2010.10.023
Homo sapiens A549 Activity 40.0 % 10.1016/j.ejmech.2012.02.038
Homo sapiens A549 EC50 0.201 nM 10.1021/acs.jnatprod.6b00742
Homo sapiens A549 IC50 7.2 nM 10.1016/j.ejmech.2012.05.032
Homo sapiens A549 IC50 7.2 nM 10.1016/j.ejmech.2017.09.004
Homo sapiens A549 IC50 8.0 nM 10.1016/j.ejmech.2017.09.004
Homo sapiens A549 IC50 3800.0 nM 10.1021/acs.jnatprod.1c00294
Homo sapiens Acetylcholinesterase AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens ACHN IC50 5.0 nM 10.1016/j.ejmech.2019.111960
Homo sapiens ACHN IC50 5.0 nM 10.1021/jm020913z
Homo sapiens ACHN IC50 5.0 nM 10.1021/jm020918w
Homo sapiens ACHN IC50 5.0 nM 10.1021/jm050745l
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 IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 22387.2 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 28183.8 nM None
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 30000.0 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 IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor Potency 20.0 nM None
Homo sapiens Androgen Receptor Potency 25.1 nM None
Homo sapiens Androgen Receptor Potency 39.8 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 12589.3 nM None
Homo sapiens ATP-binding cassette sub-family G member 2 Activity nan None 10.1124/mol.63.1.65
Homo sapiens ATP-dependent DNA helicase Q1 Potency 1412.5 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 3548.1 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 15848.9 nM None
Homo sapiens BEAS-2B IC50 700.0 nM 10.1021/acs.jnatprod.1c00294
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 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 acid receptor FXR Potency 11.2 nM None
Homo sapiens Bile acid receptor FXR Potency 2511.9 nM None
Homo sapiens Bile salt export pump AC50 34000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Bloom syndrome protein Potency 7079.5 nM None
Homo sapiens Bloom syndrome protein Potency 18211.8 nM None
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens C8166 IC50 0.08 nM 10.1021/jm020918w
Homo sapiens C8166 IC50 0.8 nM 10.1021/jm020913z
Homo sapiens C8166 IC50 0.8 nM 10.1021/jm050745l
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
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 Ca-Ski ED50 1.9 10'-3 ug/ml 10.1021/np0101651
Homo sapiens Ca-Ski ED50 1.9 10'-3 ug/ml 10.1021/np980281c
Homo sapiens Ca-Ski ED50 1.9 10'-3 ug/ml 10.1021/np9900167
Homo sapiens Ca-Ski ED50 1.9 10'-3 ug/ml 10.1021/np990367l
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Caspase-1 Potency 31622.8 nM None
Homo sapiens Caspase-7 Potency 31622.8 nM 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 Activity nan None 10.1016/j.bmc.2008.02.063
Homo sapiens CCRF-CEM IC50 1.0 nM 10.1016/j.ejmech.2019.111960
Homo sapiens CCRF-CEM IC50 1.0 nM 10.1021/jm020913z
Homo sapiens CCRF-CEM IC50 1.0 nM 10.1021/jm050745l
Homo sapiens CCRF-CEM IC50 1.6 nM 10.1016/j.bmc.2008.02.063
Homo sapiens CCRF-CEM IC50 3.0 nM 10.1021/jm020918w
Homo sapiens CCRF-CEM IC50 1600.0 nM 10.1021/jm030253d
Homo sapiens CCRF-CEM ID50 10.0 ng/ml 10.1021/jm00193a009
Homo sapiens CCRF-CEM ID50 10.0 ng/ml 10.1021/jm00207a021
Homo sapiens CCRF-CEM ID50 13.0 ng ml-1 10.1021/jm00392a018
Homo sapiens CCRF-CEM ID50 13.0 ng ml-1 10.1021/jm00399a018
Homo sapiens CCRF-CEM ID50 40.0 ng ml-1 10.1021/jm00365a015
Homo sapiens CCRF-CEM ID50 60.0 ng ml-1 10.1021/jm00141a007
Homo sapiens CCRF-SB IC50 1.0 nM 10.1021/jm020918w
Homo sapiens CCRF-SB IC50 2.0 nM 10.1016/j.ejmech.2019.111960
Homo sapiens CCRF-SB IC50 2.0 nM 10.1021/jm020913z
Homo sapiens CCRF-SB IC50 2.0 nM 10.1021/jm050745l
Homo sapiens Cellular tumor antigen p53 Potency 2.0 nM None
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens CRL-7065 cell line IC50 7.0 nM 10.1021/jm020913z
Homo sapiens Cyclooxygenase-1 AC50 11639.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 20730.0 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 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 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Inhibition nan % 10.1021/tx300075j
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 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C19 Ratio IC50 2.0 None 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2C9 Ratio IC50 2.0 None 10.1021/tx300075j
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Inhibition nan % 10.1021/tx300075j
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 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Potency 19952.6 nM None
Homo sapiens Cytochrome P450 3A4 Ratio IC50 2.0 None 10.1021/tx300075j
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens Discoidin domain-containing receptor 2 IC50 9000.0 nM 10.1021/jm5012319
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 7943.3 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 12589.3 nM None
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 IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 30000.0 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 IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 30000.0 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 DU-145 IC50 8.0 nM 10.1021/jm020913z
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
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 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 alpha Potency 4.0 nM None
Homo sapiens Estrogen receptor alpha Potency 35.5 nM None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens G-361 IC50 1.0 nM 10.1021/jm020913z
Homo sapiens G-361 IC50 1.0 nM 10.1021/jm020918w
Homo sapiens G-361 IC50 1.0 nM 10.1021/jm050745l
Homo sapiens G-361 IC50 6.0 nM 10.1016/j.ejmech.2019.111960
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glucocorticoid receptor Potency 112.2 nM None
Homo sapiens Glucocorticoid receptor Potency 125.9 nM None
Homo sapiens Glucocorticoid receptor Potency 141.3 nM None
Homo sapiens Growth factor receptor-bound protein 2 IC50 5000.0 nM 10.1016/s0960-894x(98)00345-x
Homo sapiens HCT-116 ED50 nan None 10.1021/np0101651
Homo sapiens HCT-15 GI 49.0 % 10.1007/s00044-011-9899-3
Homo sapiens HeLa Activity nan None 10.1016/j.bmc.2014.06.032
Homo sapiens HeLa Activity nan None 10.1016/j.ejmech.2012.05.032
Homo sapiens HeLa Activity nan None 10.1016/j.ejmech.2017.09.004
Homo sapiens HeLa IC50 0.01 ug.mL-1 10.1021/np970573y
Homo sapiens HeLa IC50 0.4 nM 10.1021/np700717s
Homo sapiens HeLa IC50 1.0 nM 10.1021/np050240y
Homo sapiens HeLa IC50 1.1 nM 10.1016/j.bmcl.2014.03.051
Homo sapiens HeLa IC50 1.1 nM 10.1016/j.ejmech.2012.05.032
Homo sapiens HeLa IC50 1.1 nM 10.1016/j.ejmech.2017.09.004
Homo sapiens HeLa IC50 1.6 nM 10.1016/j.bmcl.2014.03.051
Homo sapiens HeLa IC50 3.2 nM 10.1016/j.ejmech.2017.09.004
Homo sapiens HeLa IC50 8.0 nM 10.1016/j.ejmech.2019.111960
Homo sapiens HeLa IC50 8.0 nM 10.1021/jm020913z
Homo sapiens HeLa IC50 11.0 nM 10.1021/np050240y
Homo sapiens HeLa IC50 40.0 nM 10.1021/jm020918w
Homo sapiens HeLa IC50 40.0 nM 10.1021/jm050745l
Homo sapiens HeLa IC50 120.0 nM 10.1021/acs.jnatprod.1c00294
Homo sapiens HeLa IC50 262.4 nM 10.1038/nchembio.304
Homo sapiens HeLa IC50 519.7 nM 10.1038/nchembio.304
Homo sapiens HeLa Inhibition nan % 10.1038/nchembio.304
Homo sapiens HeLa Ratio IC50 6.3 None 10.1016/j.bmcl.2014.03.051
Homo sapiens HeLa Ratio IC50 65.5 None 10.1016/j.bmcl.2014.03.051
Homo sapiens HEp-2 IC50 4.0 nM 10.1021/jm020913z
Homo sapiens HEp-2 IC50 4.0 nM 10.1021/jm020918w
Homo sapiens HEp-2 IC50 4.0 nM 10.1021/jm050745l
Homo sapiens HEp-2 IC50 6.0 nM 10.1021/np050240y
Homo sapiens HEp-2 IC50 191.0 nM 10.1021/np050240y
Homo sapiens HepG2 ED50 nan None 10.1021/np0101651
Homo sapiens HepG2 GI 42.0 % 10.1007/s00044-011-9899-3
Homo sapiens HepG2 GI50 1000.0 nM 10.1021/np990416u
Homo sapiens HepG2 IC50 10.0 nM 10.1021/acs.jnatprod.1c00294
Homo sapiens HepG2 IC50 10.0 nM 10.1021/jm020913z
Homo sapiens HepG2 IC50 10.0 nM 10.1021/jm020918w
Homo sapiens HepG2 LC50 50000.0 nM 10.1021/np990416u
Homo sapiens HepG2 TGI 4000.0 nM 10.1021/np990416u
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 IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 891.3 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 11220.2 nM None
Homo sapiens Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens HL-60 IC50 20.0 nM 10.1021/acs.jnatprod.1c00294
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Apoptotic index 35.5 None 10.1021/jm000058o
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 8.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fabs 5.0 % 10.1124/dmd.110.034629
Homo sapiens Homo sapiens IC50 4.5 nM 10.1021/jm000058o
Homo sapiens Homo sapiens IC80 0.0072 uM 10.1021/jm000058o
Homo sapiens Homo sapiens ID50 60.0 ng ml-1 10.1021/jm00352a023
Homo sapiens Homo sapiens Inhibition 49.2 % 10.1021/jm000058o
Homo sapiens Homo sapiens Inhibition 90.5 % 10.1021/jm000058o
Homo sapiens HT-29 Activity nan None 10.1021/np50063a010
Homo sapiens HT-29 ED50 nan None 10.1021/np0101651
Homo sapiens HT-29 IC50 2.9 nM 10.1021/np700717s
Homo sapiens HT-29 IC50 6.0 nM 10.1016/j.ejmech.2019.111960
Homo sapiens HT-29 IC50 6.0 nM 10.1021/jm020913z
Homo sapiens HT-29 IC50 6.0 nM 10.1021/jm020918w
Homo sapiens HT-29 IC50 6.0 nM 10.1021/jm050745l
Homo sapiens HT-29 IC50 100.0 nM 10.1021/jm00399a014
Homo sapiens HT-29 IC50 223.0 nM 10.1021/np50063a010
Homo sapiens HT-29 IC50 900.0 nM 10.1021/jm00399a014
Homo sapiens HT-3 ED50 5.6 10'-4 ug/ml 10.1021/np980281c
Homo sapiens HT-3 ED50 5.6 10'-4 ug/ml 10.1021/np9900167
Homo sapiens HT-3 ED50 5.6 10'-4 ug/ml 10.1021/np990367l
Homo sapiens Huh-7 CC50 4180.0 nM 10.1073/pnas.0802982105
Homo sapiens Huh-7 CC50 10000.0 nM 10.1073/pnas.0802982105
Homo sapiens Huntingtin Potency 31.6 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 251.2 nM None
Homo sapiens IMR-32 Activity nan None 10.1021/jm020913z
Homo sapiens Interleukin-8 Potency 133.3 nM None
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 FC 4.3 None 10.1021/np900314p
Homo sapiens Jurkat FC 5.7 None 10.1021/np900314p
Homo sapiens Jurkat IC50 4.5 nM 10.1021/jm9806695
Homo sapiens Jurkat IC80 0.0072 uM 10.1021/jm9806695
Homo sapiens Jurkat Inhibition 51.8 % 10.1021/jm9806695
Homo sapiens Jurkat Inhibition 63.2 % 10.1021/jm9806695
Homo sapiens K562 Activity 2.0 % 10.1016/j.bmcl.2011.02.026
Homo sapiens K562 Activity 58.0 % 10.1016/j.bmcl.2011.02.026
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens KB IC50 0.01 ug.mL-1 10.1021/np010071r
Homo sapiens KB IC50 0.01 ug.mL-1 10.1021/np0202273
Homo sapiens KB IC50 1.0 nM 10.1021/jm050745l
Homo sapiens KB IC50 4.0 nM 10.1021/jm030918b
Homo sapiens KB IC50 50.0 nM 10.1021/jm030918b
Homo sapiens KB IC50 200.0 nM 10.1021/jm030918b
Homo sapiens L02 IC50 500.0 nM 10.1021/acs.jnatprod.1c00294
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 Liver microsomes Activity nan None 10.1021/tx300075j
Homo sapiens Liver microsomes Stability nan % 10.1021/tx300075j
Homo sapiens Lymphoblastoid cell Potency 2.5 nM None
Homo sapiens Lymphoblastoid cell Potency 3.2 nM None
Homo sapiens Lymphoblastoid cell Potency 4.0 nM None
Homo sapiens Lymphoblastoid cell Potency 5.0 nM None
Homo sapiens Lymphoblastoid cell Potency 6.3 nM None
Homo sapiens Lymphoblastoid cell Potency 7.9 nM None
Homo sapiens Lymphoblastoid cell Potency 10.0 nM None
Homo sapiens Lymphoblastoid cell Potency 12.6 nM None
Homo sapiens Lymphoblastoid cell Potency 15.8 nM None
Homo sapiens Lymphoblastoid cell Potency 20.0 nM None
Homo sapiens Lymphoblastoid cell Potency 39.8 nM None
Homo sapiens Lymphoblastoid cell Potency 794.3 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 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 MCF7 ED50 nan None 10.1021/np0101651
Homo sapiens MCF7 GI50 500.0 nM 10.1021/np990416u
Homo sapiens MCF7 IC50 6.0 nM 10.1016/j.ejmech.2019.111960
Homo sapiens MCF7 IC50 6.0 nM 10.1021/jm020913z
Homo sapiens MCF7 IC50 6.0 nM 10.1021/jm020918w
Homo sapiens MCF7 IC50 24.0 nM 10.1016/j.ejmech.2012.05.032
Homo sapiens MCF7 IC50 24.0 nM 10.1016/j.ejmech.2017.09.004
Homo sapiens MCF7 IC50 48.0 nM 10.1016/j.ejmech.2017.09.004
Homo sapiens MCF7 IC50 103.0 nM 10.1021/np100014j
Homo sapiens MCF7 IC50 200.0 nM 10.1021/acs.jnatprod.1c00294
Homo sapiens MCF7 LC50 50000.0 nM 10.1021/np990416u
Homo sapiens MCF7 TGI 2200.0 nM 10.1021/np990416u
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 Microtubule-associated protein tau Potency 25118.9 nM None
Homo sapiens MOLT-3 AC50 nan None 10.1021/jm050772b
Homo sapiens MOLT-3 CC50 nan None 10.1021/jm050772b
Homo sapiens MOLT-3 IC50 1000.0 nM 10.1016/j.ejmech.2010.10.023
Homo sapiens MOLT-3 IC50 1000.0 nM 10.1021/jm050772b
Homo sapiens MOLT-4 IC50 1.0 nM 10.1021/jm020913z
Homo sapiens MOLT-4 IC50 1.0 nM 10.1021/jm020918w
Homo sapiens MOLT-4 IC50 1.0 nM 10.1021/jm050745l
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 MRC5 IC50 0.02 ug.mL-1 10.1016/j.bmcl.2004.06.083
Homo sapiens MT4 IC50 0.9 nM 10.1021/jm020918w
Homo sapiens MT4 IC50 0.9 nM 10.1021/jm050745l
Homo sapiens MT4 IC50 1.0 nM 10.1016/j.ejmech.2019.111960
Homo sapiens MT4 IC50 1.0 nM 10.1021/jm020913z
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None None
Homo sapiens Multidrug resistance-associated protein 6 Activity nan None None
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 30000.0 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 30000.0 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 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 NCI-H157 Activity 3.0 % 10.1016/j.bmc.2012.07.013
Homo sapiens NCI-H157 Activity 9.0 % 10.1016/j.bmc.2012.07.013
Homo sapiens NCI-H157 Activity 23.0 % 10.1016/j.bmc.2012.07.013
Homo sapiens NCI-H157 Activity nan None 10.1016/j.bmc.2012.07.013
Homo sapiens NCI-H460 IC50 8.0 nM 10.1021/np100014j
Homo sapiens NCI-H522 GI 59.0 % 10.1007/s00044-011-9899-3
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 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 30000.0 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 42.2 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 61.1 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 167.9 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 863.5 nM None
Homo sapiens Nuclear receptor ROR-gamma Potency 26.6 nM None
Homo sapiens NUGC Activity 0.0 % 10.1021/np020007p
Homo sapiens NUGC IC50 6.61 ug.mL-1 10.1021/np020441r
Homo sapiens PA-1 GI 93.0 % 10.1007/s00044-011-9899-3
Homo sapiens Panel leukemia (Carcinoma cell lines) CC50 3.0 nM 10.1021/jm020913z
Homo sapiens PC-3 Activity 0.0 % 10.1021/acs.jnatprod.9b01015
Homo sapiens PC-3 EC50 0.276 nM 10.1021/acs.jnatprod.6b00742
Homo sapiens Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase Delta Tm 2.95 degrees C 10.1016/j.bmc.2016.08.019
Homo sapiens Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase Kd 88500.0 nM 10.1016/j.bmc.2016.08.019
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 4.5 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 10.0 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 22.4 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 50118.7 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 15.8 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 17.8 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 100.0 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 125.9 nM None
Homo sapiens P-glycoprotein 1 Activity nan None 10.1016/j.bbrc.2004.01.156
Homo sapiens P-glycoprotein 1 Activity nan None None
Homo sapiens P-glycoprotein 1 Km 10000.0 nM 10.1073/pnas.89.18.8472
Homo sapiens P-glycoprotein 1 % maximum response 1.39 % None
Homo sapiens P-glycoprotein 1 Papp 0.21 nm/s None
Homo sapiens P-glycoprotein 1 Papp 16.0 nm/s None
Homo sapiens P-glycoprotein 1 Ratio_ATPase activity 1.2 None None
Homo sapiens P-glycoprotein 1 Ratio_Papp 80.0 None None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 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 Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None 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 Raji IC50 2.0 nM 10.1021/jm020913z
Homo sapiens Raji IC50 2.0 nM 10.1021/jm020918w
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 Retinoid X receptor alpha Potency 11.2 nM None
Homo sapiens Retinoid X receptor alpha Potency 14.1 nM None
Homo sapiens Retinoid X receptor alpha Potency 31.6 nM None
Homo sapiens RKO IC50 30.0 nM 10.1021/acs.jnatprod.1c00294
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 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 30000.0 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 IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
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 30000.0 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 SF-268 IC50 16.0 nM 10.1021/np100014j
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SiHa ED50 8.1 10'-4 ug/ml 10.1021/np0101651
Homo sapiens SiHa ED50 8.1 10'-4 ug/ml 10.1021/np980281c
Homo sapiens SiHa ED50 8.1 10'-4 ug/ml 10.1021/np9900167
Homo sapiens SiHa ED50 8.1 10'-4 ug/ml 10.1021/np990367l
Homo sapiens SK-MEL-28 IC50 2.0 nM 10.1016/j.ejmech.2019.111960
Homo sapiens SK-MEL-28 IC50 2.0 nM 10.1021/jm020913z
Homo sapiens SK-MES-1 IC50 4.0 nM 10.1021/jm020913z
Homo sapiens Solute carrier family 22 member 5 Activity 69.0 % None
Homo sapiens Solute carrier family 22 member 5 Activity nan None None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 57.98 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 85.16 % 10.1124/mol.112.084152
Homo sapiens Survival motor neuron protein Potency 316.2 nM None
Homo sapiens T-24 ED50 1.5 10'-3 ug/ml 10.1021/np980281c
Homo sapiens T-24 ED50 1.5 10'-3 ug/ml 10.1021/np9900167
Homo sapiens T-24 ED50 1.5 10'-3 ug/ml 10.1021/np990367l
Homo sapiens T47D GI 21.0 % 10.1007/s00044-011-9899-3
Homo sapiens Telomerase reverse transcriptase Inhibition 50.0 % 10.1016/s0960-894x(01)00553-4
Homo sapiens THP-1 IC50 nan None 10.1021/jm050772b
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 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 0.7 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 50.1 nM None
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 6.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 6.7 nM None
Homo sapiens U2OS IC50 3.2 nM 10.1021/np700717s
Homo sapiens U-937 IC50 1000.0 nM 10.1021/jm050772b
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 79432.8 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 IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vitamin D receptor Potency 25.1 nM None
Homo sapiens Vitamin D receptor Potency 6309.6 nM None
Homo sapiens Vitamin D receptor Potency 44668.4 nM None
Homo sapiens WIL2-NS IC50 3.0 nM 10.1021/jm020913z
Homo sapiens WIL2-NS IC50 3.0 nM 10.1021/jm050745l
Human betaherpesvirus 5 Human betaherpesvirus 5 Inhibition nan % 10.1128/aac.01730-09
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 270000.0 nM 10.1016/j.bmcl.2012.05.041
Micrococcus luteus Micrococcus luteus MIC 0.003 ug.mL-1 10.1021/acs.jnatprod.6b00742
Micrococcus luteus Micrococcus luteus MIC 0.06 ug.mL-1 10.1021/acs.jnatprod.1c00294
Mucor hiemalis Mucor hiemalis MIC 3.12 ug.mL-1 10.1021/np0602057
Mus musculus B16 ID50 3.0 nM 10.1021/jm00403a010
Mus musculus B16 ID50 3.3 ng ml-1 10.1021/jm00392a018
Mus musculus B16 ID50 3.3 ng ml-1 10.1021/jm00399a018
Mus musculus B16 ILS 38.0 % 10.1021/jm00228a006
Mus musculus B16 ILS 48.0 % 10.1021/jm00228a006
Mus musculus B16 ILS 48.0 % 10.1021/jm00399a014
Mus musculus B16 ILS 61.0 % 10.1021/jm00228a006
Mus musculus B16 MST 38.5 day 10.1021/jm00228a006
Mus musculus B16 MST 41.5 day 10.1021/jm00228a006
Mus musculus B16 MST 43.0 None 10.1021/jm00399a014
Mus musculus B16 MST 45.0 day 10.1021/jm00228a006
Mus musculus Dihydrofolate reductase Log 1/C 7.75 None 10.1021/jm00369a019
Mus musculus Dihydrofolate reductase Log 1/C 7.76 None 10.1021/jm00369a019
Mus musculus Growth factor receptor-bound protein 2 IC50 5000.0 nM 10.1016/s0960-894x(00)00258-4
Mus musculus Growth factor receptor-bound protein 2 Inhibition 40.1 % 10.1016/s0960-894x(00)00258-4
Mus musculus Growth factor receptor-bound protein 2 Inhibition 50.5 % 10.1016/s0960-894x(00)00258-4
Mus musculus L1210 DOSE 0.025 mg.kg-1 10.1021/jm00403a010
Mus musculus L1210 ED50 0.009 uM 10.1021/jm00218a013
Mus musculus L1210 ED50 0.015 uM 10.1021/jm00194a006
Mus musculus L1210 ED50 0.4 uM 10.1021/jm00218a013
Mus musculus L1210 ED50 0.6 uM 10.1021/jm00194a006
Mus musculus L1210 IC50 19.0 nM 10.1021/jm00403a010
Mus musculus L1210 IC50 380.0 nM 10.1021/jm00403a010
Mus musculus L1210 ID50 0.001 uM 10.1021/jm00185a012
Mus musculus L1210 ID50 0.001 uM 10.1021/jm00356a012
Mus musculus L1210 ID50 60.1 nM 10.1021/jm00403a010
Mus musculus L1210 ILS 31.0 % 10.1021/jm00228a006
Mus musculus L1210 ILS 42.0 % 10.1021/jm00228a006
Mus musculus L1210 ILS 45.0 % 10.1021/jm00228a006
Mus musculus L1210 Inhibition 51.0 % 10.1021/jm00195a008
Mus musculus L1210 Inhibition 57.0 % 10.1021/jm00195a008
Mus musculus L1210 Inhibition 78.0 % 10.1021/jm00195a008
Mus musculus L1210 Inhibition 97.0 % 10.1021/jm00195a008
Mus musculus L1210 Inhibition 98.0 % 10.1021/jm00195a008
Mus musculus L1210 Inhibition 99.0 % 10.1021/jm00195a008
Mus musculus L1210 K 1000.0 uM-1 10.1021/jm00356a012
Mus musculus L1210 Log CR 0.12 None 10.1021/jm00169a014
Mus musculus L1210 MST 12.6 day 10.1021/jm00228a006
Mus musculus L1210 MST 13.6 day 10.1021/jm00228a006
Mus musculus L1210 MST 14.0 day 10.1021/jm00228a006
Mus musculus MC-38 Inhibition 30.0 % 10.1021/jm00399a014
Mus musculus MC-38 Inhibition 67.0 % 10.1021/jm00399a014
Mus musculus MC-38 Inhibition 83.0 % 10.1021/jm00399a014
Mus musculus MC-38 Inhibition 89.0 % 10.1021/jm00399a014
Mus musculus MC-38 T/C 100.0 % 10.1021/jm00399a014
Mus musculus MC-38 T/C 103.0 % 10.1021/jm00399a014
Mus musculus MC-38 T/C 107.0 % 10.1021/jm00399a014
Mus musculus MC-38 T/C 134.0 % 10.1021/jm00399a014
Mus musculus MC-38 T/C 170.0 % 10.1021/jm00399a014
Mus musculus MC-38 Toxic deaths 0.0 None 10.1021/jm00399a014
Mus musculus MC-38 Toxic deaths 1.0 None 10.1021/jm00399a014
Mus musculus MC-38 Toxic deaths 4.0 None 10.1021/jm00399a014
Mus musculus Mus musculus Activity nan None 10.1021/jm00195a008
Mus musculus Mus musculus Cures 1.0 None 10.1021/jm00365a015
Mus musculus Mus musculus Dose 0.25 mg ml-1 10.1021/jm00403a010
Mus musculus Mus musculus Dose 0.3 mg ml-1 10.1021/jm00403a010
Mus musculus Mus musculus Dose 0.9 mg ml-1 10.1021/jm00403a010
Mus musculus Mus musculus ILS 36.0 % 10.1021/jm00403a010
Mus musculus Mus musculus ILS 52.0 % 10.1021/jm00403a010
Mus musculus Mus musculus ILS 55.0 % 10.1021/jm00403a010
Mus musculus Mus musculus MST 29.0 day 10.1021/jm00403a010
Mus musculus Mus musculus MST 33.5 day 10.1021/jm00403a010
Mus musculus Mus musculus MST 45.0 day 10.1021/jm00403a010
Mus musculus Mus musculus T/C 165.0 None 10.1021/jm00108a009
Mus musculus Mus musculus Weight 95.0 % 10.1021/jm00047a002
Mus musculus Mus musculus Weight 98.6 % 10.1021/jm00047a002
Mus musculus Mus musculus Weight 101.6 % 10.1021/jm00047a002
Mus musculus Mus musculus Weight 103.0 % 10.1021/jm00047a002
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 17.8 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 22.4 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 31.6 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 89.1 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 19952.6 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 89125.1 nM None
Mus musculus P388 Activity 0.001 ug ml-1 10.1021/np700738k
Mus musculus P388 Activity 25.0 % 10.1021/jm00205a004
Mus musculus P388 Activity nan None 10.1021/jm00193a009
Mus musculus P388 Activity nan None 10.1021/np50063a010
Mus musculus P388 Cure 0.0 None 10.1021/jm00352a023
Mus musculus P388 Cure 1.0 None 10.1021/jm00352a023
Mus musculus P388 ED50 0.046 uM 10.1021/jm00141a007
Mus musculus P388 ED50 0.996 uM 10.1021/jm00141a007
Mus musculus P388 IC50 0.2 nM 10.1021/np50063a010
Mus musculus P388 IC50 50.0 nM 10.1021/jm00399a014
Mus musculus P388 IC50 1100.0 nM 10.1021/jm00399a014
Mus musculus P388 ILS 0.25 % 10.1021/jm00399a014
Mus musculus P388 ILS 18.0 % 10.1021/jm00352a023
Mus musculus P388 ILS 45.0 % 10.1021/jm00352a023
Mus musculus P388 ILS 55.0 % 10.1021/jm00352a023
Mus musculus P388 ILS 100.0 % 10.1021/jm00218a013
Mus musculus P388 ILS 110.0 % 10.1021/jm00228a006
Mus musculus P388 ILS 122.0 % 10.1021/jm00207a021
Mus musculus P388 ILS 129.0 % 10.1021/jm00141a007
Mus musculus P388 ILS 136.0 % 10.1021/jm00352a023
Mus musculus P388 ILS 136.0 % 10.1021/jm00365a015
Mus musculus P388 ILS 171.0 % 10.1021/jm00228a006
Mus musculus P388 ILS 262.0 % 10.1021/jm00228a006
Mus musculus P388 IZ 5.0 mm 10.1021/np50063a010
Mus musculus P388 MED 0.05 None 10.1021/jm00352a023
Mus musculus P388 MED 0.0625 None 10.1021/jm00352a023
Mus musculus P388 MST 8.0 day 10.1021/jm00193a009
Mus musculus P388 MST 9.0 day 10.1021/jm00352a023
Mus musculus P388 MST 13.0 day 10.1021/jm00352a023
Mus musculus P388 MST 16.0 day 10.1021/jm00352a023
Mus musculus P388 MST 17.0 day 10.1021/jm00352a023
Mus musculus P388 MST 22.0 day 10.1021/jm00228a006
Mus musculus P388 MST 24.0 day 10.1021/jm00141a007
Mus musculus P388 MST 26.0 day 10.1021/jm00352a023
Mus musculus P388 MST 26.0 day 10.1021/jm00365a015
Mus musculus P388 MST 28.0 day 10.1021/jm00193a009
Mus musculus P388 MST 28.5 day 10.1021/jm00228a006
Mus musculus P388 MST 30.0 day 10.1021/jm00193a009
Mus musculus P388 MST 38.0 day 10.1021/jm00228a006
Mus musculus P388 MTD 0.15 None 10.1021/jm00352a023
Mus musculus P388 MTD 0.25 None 10.1021/jm00352a023
Mus musculus P388 Optimal dose 125.0 ug kg-1 10.1021/jm00141a007
Mus musculus P388 Survival 5.0 day 10.1021/jm00195a008
Mus musculus P388 Survival 8.0 day 10.1021/jm00195a008
Mus musculus P388 Survival 10.0 day 10.1021/jm00195a008
Mus musculus P388 Survival 15.0 day 10.1021/jm00195a008
Mus musculus P388 Survival 18.0 day 10.1021/jm00195a008
Mus musculus P388 Survival 19.0 day 10.1021/jm00195a008
Mus musculus P388 Survival 31.0 % 10.1021/jm00193a009
Mus musculus P388 Survival 141.0 % 10.1021/jm00193a009
Mus musculus P388 Survival 149.0 % 10.1021/jm00193a009
Mus musculus P388 T/C 48.0 % 10.1021/jm00195a008
Mus musculus P388 T/C 76.0 % 10.1021/jm00195a008
Mus musculus P388 T/C 95.0 % 10.1021/jm00195a008
Mus musculus P388 T/C 143.0 % 10.1021/jm00195a008
Mus musculus P388 T/C 171.0 % 10.1021/jm00195a008
Mus musculus P388 T/C 181.0 % 10.1021/jm00195a008
Mus musculus P388/ADR Dose 0.075 None 10.1021/jm00403a010
Mus musculus P388/ADR ID50 2500.0 nM 10.1021/jm00403a010
Mus musculus P388/ADR ILS 33.0 % 10.1021/jm00403a010
Mus musculus P388/ADR MST 12.0 day 10.1021/jm00403a010
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 1.0 ug.mL-1 10.1021/acs.jnatprod.6b00235
Mycobacterium tuberculosis Pantothenate synthetase Activity 1.6 10'12L/mol/s 10.1016/j.bmcl.2011.05.021
Mycobacterium tuberculosis Pantothenate synthetase Activity 8.18 % 10.1016/j.bmcl.2011.05.021
Mycobacterium tuberculosis Pantothenate synthetase Activity 47.81 % 10.1016/j.bmcl.2011.05.021
Mycobacterium tuberculosis Pantothenate synthetase IC50 250720.0 nM 10.1016/j.bmcl.2011.05.021
Mycobacterium tuberculosis Pantothenate synthetase IC50 250720.0 nM 10.1016/j.ejmech.2013.08.036
Mycobacterium tuberculosis variant bovis Mycobacterium tuberculosis variant bovis MIC 0.2 ug.mL-1 10.1021/acs.jnatprod.6b00235
Mycolicibacterium aurum Mycolicibacterium aurum MIC 0.6 ug.mL-1 10.1021/acs.jnatprod.6b00742
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
Penicillium griseofulvum Penicillium griseofulvum MIC 3.12 ug.mL-1 10.1021/np0602057
Plasmodium falciparum Plasmodium falciparum EC50 214.5 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum EC50 323.0 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum EC50 395.0 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum EC50 807.0 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum Potency 2.4 nM None
Plasmodium falciparum Plasmodium falciparum Potency 4.8 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 IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus B104 GI50 0.7 nM 10.1016/s0960-894x(00)00258-4
Rattus norvegicus C6 Activity nan None 10.1021/np960144k
Rattus norvegicus GABA receptor alpha-1 subunit 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 Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None 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 7.1 nM None
Rattus norvegicus Peripheral myelin protein 22 Potency 9074.3 nM None
Rattus norvegicus Rattus norvegicus Activity 10.0 % 10.1021/jm00399a014
Rattus norvegicus Rattus norvegicus Activity 22.0 % 10.1021/jm00399a014
Rattus norvegicus Rattus norvegicus Activity 100.0 % 10.1021/jm00399a014
Rattus norvegicus Rattus norvegicus Adrenochrome formation 2.29 nM min-1 (mg of protein)-1 10.1021/jm00399a014
Rattus norvegicus Rattus norvegicus Adrenochrome formation nan None 10.1021/jm00399a014
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 41500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 44000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 262.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 279.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 297.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 363.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 370.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 374.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 41.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 41.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 46.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 49.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 51.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 52.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 79.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 85.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 89.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 100.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 130.67 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 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 3.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 140.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 148.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 151.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 193.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.17 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 CHOL 623.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 635.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 695.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 770.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 813.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 853.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 327.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 333.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 488.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 494.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 562.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 1455.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 27330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 28830000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 29000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.6 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 24.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 33.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 221.33 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 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1486.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1543.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1553.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1556.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1630.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1650.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 32.63 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.7 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.02 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.57 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 128700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 134300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 136700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 137700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 138200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 139700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 134.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 269.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 357.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 429.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 502.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 798.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7777.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11832.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12123.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12705.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13429.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13952.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 85.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 93.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.67 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.13 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.5 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.68 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.98 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.37 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 377700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 393700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 394800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 395000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 398000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 405700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.7 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.17 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.42 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.57 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.63 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.23 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 103.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 151.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 166.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 243.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 267.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 279.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NADPH oxidation 10.01 nM min-1 (mg of protein)-1 10.1021/jm00399a014
Rattus norvegicus Rattus norvegicus NEUTLE 5.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 12.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 748.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1069.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1138.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1282.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1369.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1446.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 105.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 110.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 112.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 117.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 119.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 123.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1053000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1114500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1121670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1163670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1178170.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1209000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.31 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.85 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.38 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5180000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5390000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5610000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5630000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5680000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5810000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.17 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 140.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 140.87 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.68 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.45 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.1 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 12.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 13.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 17.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9070.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13580.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13680.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14400.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14770.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14870.0 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
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 1.0 mm 10.1016/j.ejmech.2010.07.050
Saccharomyces cerevisiae Saccharomyces cerevisiae IZ 3.0 mm 10.1016/j.ejmech.2010.07.050
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC 4.79 ug.mL-1 10.1021/acs.jnatprod.6b00742
Sarcina Sarcina MIC 0.045 ug.mL-1 10.1021/jm00228a006
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 4.878 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.08 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 20.86 % 10.21203/rs.3.rs-23951/v1
Stachybotrys chartarum Stachybotrys chartarum MIC 3.12 ug.mL-1 10.1021/np0602057
Staphylococcus aureus Staphylococcus aureus IZ 30.0 mm 10.1021/np060063g
Staphylococcus aureus Staphylococcus aureus MIC 0.006 ug.mL-1 10.1021/acs.jnatprod.6b00742
Staphylococcus aureus Staphylococcus aureus MIC 0.05 ug.mL-1 10.1021/jm00228a006
Staphylococcus aureus Staphylococcus aureus MIC 0.06 ug.mL-1 10.1021/acs.jnatprod.1c00294
Staphylococcus aureus Staphylococcus aureus MIC 0.25 ug.mL-1 10.1021/jm00108a009
Staphylococcus aureus Staphylococcus aureus MIC 0.625 ug.mL-1 10.1016/j.bmc.2010.02.005
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1021/acs.jnatprod.1c00294
Trichoderma harzianum Trichoderma harzianum MIC 6.25 ug.mL-1 10.1021/np0602057
Trypanosoma cruzi Cruzipain Potency 3981.1 nM None
Trypanosoma cruzi Cruzipain Potency 12589.3 nM None
Yarrowia lipolytica Yarrowia lipolytica MIC 6.25 ug.mL-1 10.1021/np0602057
None ADMET Delta Tm 8.0 degrees C 10.1021/jm00399a018
None ADMET ED50 nan None 10.1021/np9900167
None ADMET IC50 5.0 nM 10.1021/jm020913z
None ADMET IC50 50.0 nM 10.1021/jm020913z
None ADMET IC50 200.0 nM 10.1021/jm020913z
None ADMET Papp 0.4 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 0.8 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 2.3 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 4.5 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 8.2 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 9.3 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 10.1 ucm/s 10.1124/dmd.110.034629
None ADMET Ratio -82.0 None 10.1124/dmd.110.034629
None ADMET Ratio -25.0 None 10.1124/dmd.110.034629
None ADMET Ratio 4.0 None 10.1124/dmd.110.034629
None ADMET Ratio 4.4 None 10.1124/dmd.110.034629
None ADMET Ratio 5.4 None 10.1124/dmd.110.034629
None ADMET Ratio 6.4 None 10.1124/dmd.110.034629
None ADMET Ratio 15.0 None 10.1124/dmd.110.034629
None ADMET Ratio 28.0 None 10.1124/dmd.110.034629
None ADMET Ratio 55.0 None 10.1124/dmd.110.034629
None ADMET Ratio 75.0 None 10.1124/dmd.110.034629
None ADMET Ratio 115.0 None 10.1124/dmd.110.034629
None ADMET Ratio 178.0 None 10.1124/dmd.110.034629
None ADMET Ratio 182.0 None 10.1124/dmd.110.034629
None ADMET Therapeutic index 3.0 None 10.1021/jm00352a023
None ADMET Therapeutic index 4.0 None 10.1021/jm00352a023
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 2.0 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 nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
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 1.0 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 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 nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 29.6 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 23.7 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Molecular identity unknown Potency 105.9 nM None
None Molecular identity unknown Potency 70794.6 nM None
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmc.2014.06.032
None NON-PROTEIN TARGET CC50 2.0 nM 10.1021/jm020913z
None NON-PROTEIN TARGET CC50 5.0 nM 10.1021/jm020913z
None NON-PROTEIN TARGET ED50 0.01 ug ml-1 10.1021/np50086a002
None NON-PROTEIN TARGET ED50 1.4 10'-3 ug/ml 10.1021/np980281c
None NON-PROTEIN TARGET ED50 1.4 10'-3 ug/ml 10.1021/np9900167
None NON-PROTEIN TARGET ED50 1.4 10'-3 ug/ml 10.1021/np990367l
None NON-PROTEIN TARGET ED50 nan None 10.1021/np0101651
None NON-PROTEIN TARGET ED50 nan None 10.1021/np980281c
None NON-PROTEIN TARGET ED50 nan None 10.1021/np990367l
None NON-PROTEIN TARGET GI50 1.2 nM 10.1021/np060063g
None NON-PROTEIN TARGET GI50 1.6 nM 10.1021/np060063g
None NON-PROTEIN TARGET GI50 1.9 nM 10.1021/np060063g
None NON-PROTEIN TARGET GI50 300.0 nM 10.1021/np990416u
None NON-PROTEIN TARGET Hepatotoxicity (acute) 8.8 % 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) 1.0 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) 8.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 12.0 % 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 0.01 ug.mL-1 10.1021/np010071r
None NON-PROTEIN TARGET IC50 0.01 ug.mL-1 10.1021/np0202273
None NON-PROTEIN TARGET IC50 0.01 ug.mL-1 10.1021/np970573y
None NON-PROTEIN TARGET IC50 3.0 nM 10.1021/jm020918w
None NON-PROTEIN TARGET IC50 4.53 ug.mL-1 10.1021/np020441r
None NON-PROTEIN TARGET IC50 6.2 nM 10.1016/j.bmcl.2014.03.051
None NON-PROTEIN TARGET IC50 170.0 nM 10.1016/j.bmcl.2014.03.051
None NON-PROTEIN TARGET LC50 50000.0 nM 10.1021/np990416u
None NON-PROTEIN TARGET LC50 nan None 10.1016/j.bmcl.2010.01.033
None NON-PROTEIN TARGET TGI 6.4 nM 10.1021/np060063g
None NON-PROTEIN TARGET TGI 8.8 nM 10.1021/np060063g
None NON-PROTEIN TARGET TGI 52.0 nM 10.1021/np060063g
None NON-PROTEIN TARGET TGI 800.0 nM 10.1021/np990416u
None No relevant target LogD 3.21 None 10.1021/jm00169a014
None No relevant target LogP 3.21 None 10.1021/jm00369a019
None Nucleic Acid Activity 30.0 % 10.1021/np50078a006
None Nucleic Acid Binding Decrease 63.0 % 10.1016/j.bmcl.2010.01.033
None Nucleic Acid Delta Tm 8.0 degrees C 10.1021/jm00357a025
None Nucleic Acid Delta Tm 10.0 degrees C 10.1016/j.bmcl.2010.01.033
None Nucleic Acid Delta Tm 45.0 degrees C 10.1016/j.bmcl.2010.01.033
None Nucleic Acid EC50 4300.0 nM 10.1016/j.bmcl.2010.01.033
None Nucleic Acid Inhibition nan % 10.1016/j.bmcl.2011.12.103
None Nucleic Acid Log Kd nan None 10.1021/jm00370a007
None Nucleic Acid rel T 100.0 None 10.1021/jm00357a025
None Nucleic Acid Time constant 19.0 s 10.1021/jm030253d
None Nucleic Acid Time constant 68.0 s 10.1021/jm030253d
None Nucleic Acid Time constant 719.0 s 10.1021/jm030253d
None Unchecked Ac50 0.5012 uM None
None Unchecked Ac50 0.631 uM None
None Unchecked Ac50 0.8913 uM None
None Unchecked Ac50 2.512 uM None
None Unchecked Ac50 3.548 uM None
None Unchecked AC50 501.2 nM None
None Unchecked AC50 631.0 nM None
None Unchecked AC50 891.3 nM None
None Unchecked AC50 2511.9 nM None
None Unchecked AC50 3550.0 nM None
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/jm00228a006
None Unchecked Activity nan None 10.1021/np0504107
None Unchecked Activity nan None 10.1021/np960144k
None Unchecked Change in Tm 8.0 None 10.1021/jm00392a018
None Unchecked Delta Tm 7.1 degrees C 10.1021/jm00365a015
None Unchecked Hepatotoxicity (acute) 7.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 16.0 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) 1.0 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) 5.0 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) 6.0 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 1.0 nM 10.1021/acs.jnatprod.0c01103
None Unchecked IC50 1.0 nM None
None Unchecked IC50 1.5 nM None
None Unchecked IC50 37.0 nM None
None Unchecked IC50 40.31 nM None
None Unchecked IC50 14640000.0 nM 10.1016/j.bmcl.2021.127787
None Unchecked IC50 nan None None
None Unchecked IFI 18.03 % 10.1073/pnas.0802982105
None Unchecked IFI 20.31 % 10.1073/pnas.0802982105
None Unchecked Ki nan None None
None Unchecked Log CR 2.58 None 10.1021/jm00169a014
None Unchecked MIC 9.57 ug.mL-1 10.1021/acs.jnatprod.6b00742
None Unchecked Potency 25.1 nM None
None Unchecked Potency 50.1 nM None
None Unchecked Potency 70.8 nM None
None Unchecked Potency 1258.9 nM None
None Unchecked Potency 1995.3 nM None
None Unchecked Potency 3548.1 nM None
None Unchecked Potency 31622.8 nM None
None Unchecked Ratio 3.0 None 10.1016/j.bmcl.2003.12.015
None Unchecked Ratio 26.0 None 10.1021/jm00403a010
None Unchecked Tm 7.1 degrees C 10.1021/jm00352a023

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014845 Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O>>Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N(C)[C@H](C(=O)O)C(C)C)C(C)C)C(C)O)c(N)c1=O ACTINOMYCIN-LACTONASE-RXN
AKRT015001 Cc1ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1O.Cc1ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1O>>Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O RXN-17067