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finasteride

AlkaPlorer ID: AK016665

Synonym: None

IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide

Structure

SMILES: CC(C)(C)N=C(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N=C(O)C=C[C@]4(C)[C@H]3CC[C@]12C

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InChI: InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1

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InChIKey: DBEPLOCGEIEOCV-WSBQPABSSA-N

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Reference

PubChem CID: 57363

CAS: 98319-26-7

SuperNatural Ⅲ: SN0061083-11

NPASS: NPC333900

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 372.55300000000017

TPSA？: 65.18

MolLogP？: 5.495100000000005

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 11.13 % 10.6019/CHEMBL4513141
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans Inhibition 0.68 % 10.6019/CHEMBL4513141
Canis lupus familiaris Canis familiaris T1/2 4.2 hr 10.1021/jm00014a015
Canis lupus familiaris Canis familiaris T1/2 4.2 hr 10.1021/jm00041a014
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 -1.89 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli Inhibition -5.85 % 10.6019/CHEMBL4513141
Homo sapiens 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I Ki 11000.0 nM 10.1021/jm960697s
Homo sapiens 3-keto-steroid reductase Inhibition 3.7 % 10.1021/jm900921c
Homo sapiens 3-keto-steroid reductase Inhibition 5.4 % 10.1021/jm900921c
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 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 12839.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 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 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 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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 30000.0 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 AC50 30000.0 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 Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor Inhibition nan % 10.1016/j.bmc.2018.11.029
Homo sapiens Androgen Receptor Inhibition nan % 10.1016/j.bmc.2019.115081
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 Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor AC50 30000.0 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor 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 28200.0 nM 10.1002/hep.27206
Homo sapiens Bile salt export pump IC50 28200.0 nM 10.1093/toxsci/kfq269
Homo sapiens Bile salt export pump IC50 28200.0 nM 10.1093/toxsci/kft176
Homo sapiens Bloom syndrome protein Potency 2.8 nM None
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 Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
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 30000.0 nM 10.1038/s41467-023-40064-9
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 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 17A1 IC50 nan nM 10.1021/jm040202w
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 1000.0 nM None
Homo sapiens Cytochrome P450 2C19 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 IC50 2000.0 nM None
Homo sapiens Cytochrome P450 2C9 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C9 Ki nan None None
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 1995.3 nM None
Homo sapiens Delta opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor AC50 30000.0 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 30000.0 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 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 AC50 10000.0 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 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 GI 5.0 % 10.1007/s00044-010-9393-3
Homo sapiens DU-145 GI 5.0 % 10.1016/j.ejmech.2010.01.064
Homo sapiens DU-145 GI 8.83 % 10.1007/s00044-010-9393-3
Homo sapiens DU-145 GI 8.83 % 10.1016/j.ejmech.2010.01.064
Homo sapiens DU-145 GI 16.48 % 10.1007/s00044-010-9393-3
Homo sapiens DU-145 GI 16.48 % 10.1016/j.ejmech.2010.01.064
Homo sapiens DU-145 GI 36.0 % 10.1007/s00044-010-9393-3
Homo sapiens DU-145 GI 36.0 % 10.1016/j.ejmech.2010.01.064
Homo sapiens DU-145 GI 78.51 % 10.1007/s00044-010-9393-3
Homo sapiens DU-145 GI 78.51 % 10.1016/j.ejmech.2010.01.064
Homo sapiens DU-145 IC50 3900.0 nM 10.1007/s00044-010-9393-3
Homo sapiens DU-145 IC50 3900.0 nM 10.1016/j.ejmech.2010.01.064
Homo sapiens DU-145 IC50 13530.0 nM 10.1016/j.bmcl.2018.03.070
Homo sapiens DU-145 IC50 14530.0 nM 10.1016/j.bmc.2018.11.029
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 Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 183.6 nM None
Homo sapiens Geminin Potency 28183.8 nM None
Homo sapiens Ghrelin receptor AC50 30000.0 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 IC50 50000.0 nM 10.1016/j.bmc.2017.06.031
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 AC50 30000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 22.4 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 nan None 10.1002/hep.27206
Homo sapiens Homo sapiens AUC 369.94 ng.hr.mL-1 10.1093/toxsci/kft176
Homo sapiens Homo sapiens CL 2.333 mL.min-1.kg-1 10.1124/dmd.110.035311
Homo sapiens Homo sapiens CL 2.4 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 2.4 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.02 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.024 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens Cmax 99.0 nM 10.1002/hep.27206
Homo sapiens Homo sapiens Css 0.041 uM 10.1093/toxsci/kft176
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fa 0.8 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fa 85.0 % 10.1124/dmd.110.035311
Homo sapiens Homo sapiens F_fraction 0.63 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 0.88 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.9 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 1.1 L.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 1.1 L.kg-1 10.1124/dmd.110.035311
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 Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens 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 Liver microsomes T1/2 1.05 hr 10.1021/ml400045j
Homo sapiens LNCaP IC50 13530.0 nM 10.1016/j.bmc.2018.11.029
Homo sapiens LNCaP IC50 14530.0 nM 10.1016/j.bmcl.2018.03.070
Homo sapiens LNCaP Inhibition 21.1 % 10.1016/j.ejmech.2016.05.059
Homo sapiens LNCaP Inhibition 34.6 % 10.1016/j.ejmech.2016.05.059
Homo sapiens LNCaP Inhibition nan % 10.1016/j.ejmech.2016.05.059
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase ERK2 Potency 6309.6 nM None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens MCF7 Activity nan None 10.1016/j.bmc.2017.06.031
Homo sapiens MCF7 GI nan None 10.1016/j.bmc.2015.10.047
Homo sapiens MCF7 IC50 44140.0 nM 10.1016/j.bmc.2017.06.031
Homo sapiens MDA-MB-231 IC50 50000.0 nM 10.1016/j.bmc.2017.06.031
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 Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug resistance-associated protein 4 IC50 51000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 29825.0 nM 10.1038/s41467-023-40064-9
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 10000.0 nM 10.1038/s41467-023-40064-9
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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 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 Neurokinin 1 receptor AC50 10000.0 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 Neuronal acetylcholine receptor protein alpha-4 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 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 Norepinephrine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 NF-kappa-B p105 subunit Potency 28183.8 nM None
Homo sapiens PC-3 GI 0.4 % 10.1016/j.bmcl.2017.05.078
Homo sapiens PC-3 IC50 17800.0 nM 10.1016/j.bmc.2018.11.029
Homo sapiens PC-3 IC50 17800.0 nM 10.1016/j.bmc.2019.115081
Homo sapiens PC-3 IC50 17830.0 nM 10.1016/j.bmcl.2018.03.070
Homo sapiens PC-3 IC50 80000.0 nM 10.1016/j.bmcl.2017.05.078
Homo sapiens Phenylethanolamine N-methyltransferase Inhibition 30.0 % 10.1021/acs.jmedchem.0c02039
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 4D AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D 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 Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 5623.4 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 Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens RWPE-1 IC50 nan None 10.1016/j.bmc.2018.11.029
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 1a (5-HT1a) receptor AC50 30000.0 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 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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 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 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 Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Steroid 5-alpha-reductase 1 IC50 19.8 ug.mL-1 10.1016/s0960-894x(01)00429-2
Homo sapiens Steroid 5-alpha-reductase 1 IC50 26.3 nM 10.1021/jm00007a013
Homo sapiens Steroid 5-alpha-reductase 1 IC50 40.0 nM 10.1021/jm001008m
Homo sapiens Steroid 5-alpha-reductase 1 IC50 41.0 nM 10.1021/jm0208471
Homo sapiens Steroid 5-alpha-reductase 1 IC50 52.0 nM 10.1021/acs.jmedchem.7b01788
Homo sapiens Steroid 5-alpha-reductase 1 IC50 52.0 nM 10.1021/jm00017a001
Homo sapiens Steroid 5-alpha-reductase 1 IC50 52.0 nM 10.1021/jm00049a003
Homo sapiens Steroid 5-alpha-reductase 1 IC50 60.0 nM 10.1021/jm040202w
Homo sapiens Steroid 5-alpha-reductase 1 IC50 62.0 nM 10.1021/jm00055a014
Homo sapiens Steroid 5-alpha-reductase 1 IC50 150.0 nM 10.1021/acs.jmedchem.7b01788
Homo sapiens Steroid 5-alpha-reductase 1 IC50 150.0 nM 10.1021/jm00014a015
Homo sapiens Steroid 5-alpha-reductase 1 IC50 150.0 nM 10.1021/jm00041a014
Homo sapiens Steroid 5-alpha-reductase 1 IC50 150.0 nM 10.1021/jm00078a022
Homo sapiens Steroid 5-alpha-reductase 1 IC50 218.0 nM 10.1021/jm00009a006
Homo sapiens Steroid 5-alpha-reductase 1 IC50 453.0 nM 10.1016/j.bmc.2015.12.048
Homo sapiens Steroid 5-alpha-reductase 1 IC50 453.0 nM 10.1016/j.bmcl.2007.04.049
Homo sapiens Steroid 5-alpha-reductase 1 IC50 453.0 nM 10.1016/j.ejmech.2012.06.026
Homo sapiens Steroid 5-alpha-reductase 1 IC50 500.0 nM 10.1016/0960-894X(96)00054-6
Homo sapiens Steroid 5-alpha-reductase 1 IC50 540.0 nM 10.1021/jm001008m
Homo sapiens Steroid 5-alpha-reductase 1 IC50 650.0 nM 10.1021/acs.jmedchem.7b01788
Homo sapiens Steroid 5-alpha-reductase 1 IC50 911.0 nM 10.1016/s0960-894x(98)00505-8
Homo sapiens Steroid 5-alpha-reductase 1 IC50 911.0 nM 10.1021/jm031131o
Homo sapiens Steroid 5-alpha-reductase 1 IC50 53000.0 nM 10.1016/s0960-894x(01)00429-2
Homo sapiens Steroid 5-alpha-reductase 1 Ki 100.0 nM 10.1016/0960-894X(94)85034-8
Homo sapiens Steroid 5-alpha-reductase 1 Ki 150.0 nM 10.1021/jm960697s
Homo sapiens Steroid 5-alpha-reductase 1 Ki 366.0 nM 10.1021/jm000945r
Homo sapiens Steroid 5-alpha-reductase 2 IC50 0.1 nM 10.1021/jm00017a001
Homo sapiens Steroid 5-alpha-reductase 2 IC50 0.1 nM 10.1021/jm00049a003
Homo sapiens Steroid 5-alpha-reductase 2 IC50 0.18 nM 10.1021/acs.jmedchem.7b01788
Homo sapiens Steroid 5-alpha-reductase 2 IC50 0.18 nM 10.1021/jm00014a015
Homo sapiens Steroid 5-alpha-reductase 2 IC50 0.18 nM 10.1021/jm00041a014
Homo sapiens Steroid 5-alpha-reductase 2 IC50 0.18 nM 10.1021/jm00078a022
Homo sapiens Steroid 5-alpha-reductase 2 IC50 0.18 nM 10.1021/jm960697s
Homo sapiens Steroid 5-alpha-reductase 2 IC50 1.2 nM 10.1016/s0960-894x(98)00505-8
Homo sapiens Steroid 5-alpha-reductase 2 IC50 1.2 nM 10.1021/acs.jmedchem.7b01788
Homo sapiens Steroid 5-alpha-reductase 2 IC50 2.0 nM 10.1021/jm040202w
Homo sapiens Steroid 5-alpha-reductase 2 IC50 2.2 nM 10.1021/jm000945r
Homo sapiens Steroid 5-alpha-reductase 2 IC50 3.0 nM 10.1021/jm001008m
Homo sapiens Steroid 5-alpha-reductase 2 IC50 3.0 nM 10.1021/jm960807v
Homo sapiens Steroid 5-alpha-reductase 2 IC50 4.2 nM 10.1016/0960-894X(96)00054-6
Homo sapiens Steroid 5-alpha-reductase 2 IC50 4.53 nM 10.1021/jm00007a013
Homo sapiens Steroid 5-alpha-reductase 2 IC50 5.0 nM 10.1021/jm0208471
Homo sapiens Steroid 5-alpha-reductase 2 IC50 8.47 nM 10.1021/jm00009a006
Homo sapiens Steroid 5-alpha-reductase 2 IC50 8.5 nM 10.1016/j.bmc.2014.08.019
Homo sapiens Steroid 5-alpha-reductase 2 IC50 8.5 nM 10.1016/j.bmc.2015.10.047
Homo sapiens Steroid 5-alpha-reductase 2 IC50 10.0 nM 10.1021/jm00055a014
Homo sapiens Steroid 5-alpha-reductase 2 IC50 21.0 nM 10.1021/jm031131o
Homo sapiens Steroid 5-alpha-reductase 2 IC50 25.0 nM 10.1016/j.bmcl.2007.04.049
Homo sapiens Steroid 5-alpha-reductase 2 IC50 25.0 nM None
Homo sapiens Steroid 5-alpha-reductase 2 IC50 30.3 nM 10.1016/j.ejmech.2012.06.026
Homo sapiens Steroid 5-alpha-reductase 2 IC50 35.0 nM 10.1016/j.bmcl.2010.10.112
Homo sapiens Steroid 5-alpha-reductase 2 IC50 40.0 nM 10.1016/j.bmc.2015.12.048
Homo sapiens Steroid 5-alpha-reductase 2 IC50 42.0 nM 10.1021/jm960807v
Homo sapiens Steroid 5-alpha-reductase 2 IC50 58.0 nM 10.1021/acs.jmedchem.7b01788
Homo sapiens Steroid 5-alpha-reductase 2 IC50 60.0 nM 10.1021/jm001008m
Homo sapiens Steroid 5-alpha-reductase 2 IC50 ratio 0.55 None 10.1021/jm00161a028
Homo sapiens Steroid 5-alpha-reductase 2 Ki 2.0 nM 10.1016/0960-894X(94)85034-8
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thrombopoietin Potency 10000.0 nM None
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 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 5080.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 12762.2 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 Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 AC50 30000.0 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
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition -7.24 % 10.6019/CHEMBL4513141
Mesocricetus auratus Syrian golden hamster Activity 3.57 mm 10.1016/j.bmc.2015.10.047
Mesocricetus auratus Syrian golden hamster Activity 69.6 mg 10.1016/j.bmc.2015.10.047
Mesocricetus auratus Syrian golden hamster Activity 161.4 mg 10.1016/j.bmc.2015.10.047
Mesocricetus auratus Syrian golden hamster Inhibition 71.0 % 10.1039/C4MD00049H
Mesocricetus auratus Syrian golden hamster Inhibition nan % 10.1016/j.bmc.2018.06.030
Mus musculus Mus musculus Activity nan None 10.1021/jm060491j
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 3981.1 nM None
Mycobacterium tuberculosis 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase IC50 312000.0 nM 10.1016/j.bmcl.2011.03.004
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
Plasmodium falciparum Plasmodium falciparum IC50 7943.28 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 10000.0 nM 10.1038/nchembio.215
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 15.1 % 10.6019/CHEMBL4513141
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 100000.0 nM 10.1021/jm00161a028
Rattus norvegicus Androgen Receptor IC50 nan None 10.1016/j.bmc.2015.10.047
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Androgen Receptor RBA nan None 10.1016/j.bmc.2014.08.019
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 GABA receptor alpha-1 subunit AC50 30000.0 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 Glutamate (NMDA) receptor subunit zeta 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Liver IC50 nan None 10.1002/hep.27206
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Plasma Fu 0.095 None 10.1021/jm901371v
Rattus norvegicus Plasma Retention_time 3.5 min 10.1016/j.bmcl.2017.05.078
Rattus norvegicus Rattus norvegicus Activity 0.556 g 10.1016/j.ejmech.2013.08.018
Rattus norvegicus Rattus norvegicus Activity 0.9051 g 10.1016/j.ejmech.2013.08.018
Rattus norvegicus Rattus norvegicus Activity 1.26 ng/ml 10.1016/j.ejmech.2010.01.064
Rattus norvegicus Rattus norvegicus Activity 3.51 g 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 3.51 g 10.1016/j.ejmech.2012.06.026
Rattus norvegicus Rattus norvegicus Activity 8.032 % 10.1016/j.ejmech.2012.06.026
Rattus norvegicus Rattus norvegicus Activity 8.032 g% 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 14.4 % 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 14.4 % 10.1016/j.ejmech.2012.06.026
Rattus norvegicus Rattus norvegicus Activity 14.45 % 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 14.45 % 10.1016/j.ejmech.2012.06.026
Rattus norvegicus Rattus norvegicus Activity 16.57 mg 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 16.57 mg 10.1016/j.ejmech.2012.06.026
Rattus norvegicus Rattus norvegicus Activity 27.52 mg 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 32.87 mg 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 44.76 % 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 44.76 % 10.1016/j.ejmech.2012.06.026
Rattus norvegicus Rattus norvegicus Activity 45.32 % 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 45.32 % 10.1016/j.ejmech.2012.06.026
Rattus norvegicus Rattus norvegicus Activity 57.84 mg 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 105.51 mg 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 105.51 mg 10.1016/j.ejmech.2012.06.026
Rattus norvegicus Rattus norvegicus Activity 160.37 mg 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 1058.02 mg 10.1016/j.bmc.2015.12.048
Rattus norvegicus Rattus norvegicus Activity 1058.02 mg 10.1016/j.ejmech.2012.06.026
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2011.03.102
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.ejmech.2012.06.026
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acs.jnatprod.9b01210
Rattus norvegicus Rattus norvegicus ALB 37700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 297.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 355.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 360.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 378.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 384.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 409.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 55.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 57.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 61.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 75.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 75.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 103.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 74.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 76.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 80.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 89.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 101.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 102.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AUC 23.48 ng.hr.mL-1 10.1016/j.bmcl.2017.05.078
Rattus norvegicus Rattus norvegicus AUC 23.79 ng.hr.mL-1 10.1016/j.bmcl.2017.05.078
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 1.0 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 110.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 113.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 116.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 130.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 136.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 660.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 663.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 703.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 770.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 796.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 873.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 199.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 232.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 247.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 277.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 348.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 434.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Cmax 11.25 nM 10.1016/j.bmcl.2017.05.078
Rattus norvegicus Rattus norvegicus CO2 25000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Conversion 39.0 % 10.1021/jm9601819
Rattus norvegicus Rattus norvegicus Conversion 49.0 % 10.1021/jm9601819
Rattus norvegicus Rattus norvegicus Conversion 50.0 % 10.1021/jm9601819
Rattus norvegicus Rattus norvegicus Conversion 64.0 % 10.1021/jm9601819
Rattus norvegicus Rattus norvegicus Conversion 84.0 % 10.1021/jm9601819
Rattus norvegicus Rattus norvegicus CREAT 1.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.9 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 3.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 4.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 34.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 52.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 85.67 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 EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1490.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1520.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1576.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1613.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1843.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1983.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 31.63 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 31.93 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.07 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.2 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.4 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 123700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 127700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 128700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 129300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 129700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 130300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Inhibition 0.0731 % 10.1016/j.ejmech.2013.08.018
Rattus norvegicus Rattus norvegicus Inhibition 32.47 % 10.1021/acs.jnatprod.9b01210
Rattus norvegicus Rattus norvegicus Inhibition 50.48 % 10.1021/np500810c
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1007/s00044-010-9393-3
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1016/j.bmcl.2011.03.102
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1016/j.ejmech.2013.08.018
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1021/acs.jnatprod.9b01210
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1021/np500810c
Rattus norvegicus Rattus norvegicus LDH 64.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 82.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 92.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 104.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 112.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 140.33 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 LIPASE 11.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 6334.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 6528.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7140.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7333.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8734.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 9105.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 85.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.23 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.57 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.7 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.83 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.0 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.53 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 388000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 388300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 390300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 390700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 394000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 400000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.17 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.43 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.93 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.67 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.93 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.77 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 74.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 98.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 111.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 141.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 155.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 164.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 12.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 624.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 817.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 889.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 922.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1020.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1034.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 108.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 111.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 113.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 117.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 118.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 121.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 896000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 974670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1190000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1238330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1248330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1308000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 4.86 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.02 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.38 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.99 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.04 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 53700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 54700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 57000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Ratio 0.002471 None 10.1016/j.ejmech.2013.08.018
Rattus norvegicus Rattus norvegicus RBC 5030000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5110000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5150000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5190000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5250000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5310000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Reduction 41.0 % 10.1021/jm00078a022
Rattus norvegicus Rattus norvegicus Reduction 100.0 % 10.1021/jm00041a014
Rattus norvegicus Rattus norvegicus Reduction in prostate weight 100.0 % 10.1021/jm00014a015
Rattus norvegicus Rattus norvegicus SODIUM 141.03 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.9 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.3 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.03 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 147.03 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus T1/2 3.91 hr 10.1016/j.bmcl.2017.05.078
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tmax 2.67 hr 10.1016/j.bmcl.2017.05.078
Rattus norvegicus Rattus norvegicus URATE 5.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 6.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 8.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 8.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 9.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 7030.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 7700.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8130.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9870.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10330.0 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 Steroid 5-alpha-reductase IC50 6.8 nM 10.1021/jm00161a028
Rattus norvegicus Steroid 5-alpha-reductase Inhibition 28.0 % 10.1016/S0960-894X(01)80189-X
Rattus norvegicus Steroid 5-alpha-reductase Ki 54.7 nM 10.1016/s0960-894x(98)00339-4
Rattus norvegicus Steroid 5-alpha-reductase Ki 88.2 nM 10.1016/s0960-894x(98)00339-4
Rattus norvegicus Steroid 5-alpha-reductase 1 IC50 4.2 nM 10.1016/s0960-894x(98)00044-4
Rattus norvegicus Steroid 5-alpha-reductase 1 IC50 10.0 nM 10.1021/jm0208471
Rattus norvegicus Steroid 5-alpha-reductase 1 IC50 30.0 nM 10.1021/acs.jmedchem.7b01788
Rattus norvegicus Steroid 5-alpha-reductase 1 IC50 40000.0 nM 10.1016/0960-894X(96)00360-5
Rattus norvegicus Steroid 5-alpha-reductase 1 IC50 630000.0 nM 10.1016/j.bmc.2014.08.019
Rattus norvegicus Steroid 5-alpha-reductase 1 IC50 630000.0 nM 10.1016/j.bmc.2015.10.047
Rattus norvegicus Steroid 5-alpha-reductase 1 Inhibition 10.0 % 10.1021/jm9601819
Rattus norvegicus Steroid 5-alpha-reductase 1 Ki 6.8 nM 10.1021/jm00014a015
Rattus norvegicus Steroid 5-alpha-reductase 2 IC50 0.28 nM 10.1021/jm00014a015
Rattus norvegicus Steroid 5-alpha-reductase 2 IC50 11.0 nM 10.1021/jm0208471
Rattus norvegicus Steroid 5-alpha-reductase 2 IC50 32.0 nM 10.1021/acs.jmedchem.7b01788
Rattus norvegicus Steroid 5-alpha-reductase 2 IC50 147.49 nM 10.1016/j.bmcl.2011.03.102
Rattus norvegicus Steroid 5-alpha-reductase 2 IC50 2100.0 nM 10.1021/jm9601819
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 L-type calcium channel alpha-1C subunit AC50 30000.0 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
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -63.35 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 6.96 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 relative nan None 10.6019/EOS300033
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -3.72 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.04 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.04 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.2658 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Inhibition -0.3 % 10.6019/CHEMBL4513141
Sus scrofa Plasma Drug metabolism nan None 10.1124/dmd.110.035311
Sus scrofa Plasma Fu 0.17 None 10.1124/dmd.110.035311
Sus scrofa Sus scrofa AUC 335.3 ng.hr.mL-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa AUC 447.06 ng.hr.mL-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa AUC 596.08 ng.hr.mL-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa AUC 633.34 ng.hr.mL-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa AUC 1080.39 ng.hr.mL-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa AUC 1527.45 ng.hr.mL-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa AUC 1639.22 ng.hr.mL-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa AUC 2347.07 ng.hr.mL-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa CL 0.005 mL.min-1.kg-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa CL 0.006 mL.min-1.kg-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa CL 0.01 mL.min-1.kg-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa CL 7.0 mL.min-1.kg-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa CL 18.0 mL.min-1.kg-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa CL 25.0 mL.min-1.kg-1 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Cmax 600.0 nM 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Cmax 1000.0 nM 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Cmax 1200.0 nM 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Cmax 1400.0 nM 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Cmax 2600.0 nM 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Cmax 3100.0 nM 10.1124/dmd.110.035311
Sus scrofa Sus scrofa ERH 0.1 None 10.1124/dmd.110.035311
Sus scrofa Sus scrofa ERH 0.2 None 10.1124/dmd.110.035311
Sus scrofa Sus scrofa ERH 0.3 None 10.1124/dmd.110.035311
Sus scrofa Sus scrofa ERH 0.5 None 10.1124/dmd.110.035311
Sus scrofa Sus scrofa ka 3.0 L/hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa ka 6.0 L/hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa ka 19.0 L/hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa ka 29.0 L/hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa T1/2 1.5 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa T1/2 1.6 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa T1/2 1.7 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa T1/2 2.6 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa T1/2 3.1 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa T1/2 3.4 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa T1/2 3.6 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa T1/2 3.9 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa T1/2 4.0 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Tmax 0.3 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Tmax 0.5 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Tmax 0.9 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Tmax 1.0 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Tmax 1.5 hr 10.1124/dmd.110.035311
Sus scrofa Sus scrofa Vdss 0.99 L.kg-1 10.1124/dmd.110.035311
None ADMET Ae 0.01 umol 10.1124/dmd.110.035311
None ADMET Ae 0.02 umol 10.1124/dmd.110.035311
None ADMET Ae 0.03 umol 10.1124/dmd.110.035311
None ADMET Ae 0.032 umol 10.1124/dmd.110.035311
None ADMET Ae 0.04 umol 10.1124/dmd.110.035311
None ADMET Ae 0.09 umol 10.1124/dmd.110.035311
None ADMET AUC 409.81 ng.hr.mL-1 10.1124/dmd.110.035311
None ADMET AUC 931.38 ng.hr.mL-1 10.1124/dmd.110.035311
None ADMET AUC 1564.71 ng.hr.mL-1 10.1124/dmd.110.035311
None ADMET CL 0.009 mL.min-1.kg-1 10.1124/dmd.110.035311
None ADMET CL 0.01 mL.min-1.kg-1 10.1124/dmd.110.035311
None ADMET CL 0.014 mL.min-1.kg-1 10.1124/dmd.110.035311
None ADMET CL 2.4 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET Cmax 500.0 nM 10.1124/dmd.110.035311
None ADMET Cmax 1300.0 nM 10.1124/dmd.110.035311
None ADMET Cmax 2000.0 nM 10.1124/dmd.110.035311
None ADMET Drug excretion 0.02 % 10.1124/dmd.110.035311
None ADMET Drug excretion 0.08 % 10.1124/dmd.110.035311
None ADMET Drug excretion 0.09 % 10.1124/dmd.110.035311
None ADMET Drug excretion 0.12 % 10.1124/dmd.110.035311
None ADMET Drug excretion 0.18 % 10.1124/dmd.110.035311
None ADMET Drug excretion 0.19 % 10.1124/dmd.110.035311
None ADMET Drug excretion nan None 10.1124/dmd.110.035311
None ADMET F 69.0 % 10.1021/jm00014a015
None ADMET F 69.0 % 10.1021/jm00041a014
None ADMET GI nan None 10.1016/j.bmc.2014.08.019
None ADMET IC50 28200.0 nM 10.1016/j.ejmech.2010.01.064
None ADMET LC50 28200.0 nM 10.1007/s00044-010-9393-3
None ADMET MRT 7.6 hr 10.1124/dmd.108.020479
None ADMET Ratio AUC 0.7 None 10.1124/dmd.110.035311
None ADMET Ratio AUC 0.9 None 10.1124/dmd.110.035311
None ADMET Ratio AUC 6.0 None 10.1124/dmd.110.035311
None ADMET Ratio AUC 7.0 None 10.1124/dmd.110.035311
None ADMET Ratio AUC 14.0 None 10.1124/dmd.110.035311
None ADMET T1/2 6.0 hr 10.1124/dmd.108.020479
None ADMET Vdss 1.1 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 2.5 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 1.0 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
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 0.0 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 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 1.1 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 2.7 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 2.7 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET Fu 0.095 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET GI nan None 10.1016/j.bmc.2014.08.019
None NON-PROTEIN TARGET GI nan None 10.1016/j.bmc.2015.10.047
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) 1.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 9.0 % 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 548000.0 nM 10.1016/j.bmc.2015.12.048
None NON-PROTEIN TARGET Potency 7943.3 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 12589.3 nM None
None Nucleic Acid Ratio 1.03 None 10.1124/dmd.110.035311
None Unchecked Ac50 3.162 uM None
None Unchecked Ac50 3.548 uM None
None Unchecked Ac50 15.85 uM None
None Unchecked Ac50 19.95 uM None
None Unchecked Ac50 28.18 uM None
None Unchecked AC50 3162.3 nM None
None Unchecked AC50 3548.1 nM None
None Unchecked AC50 15848.9 nM None
None Unchecked AC50 15850.0 nM None
None Unchecked AC50 19952.6 nM None
None Unchecked AC50 28183.8 nM None
None Unchecked Activity nan None 10.1021/acs.jmedchem.0c02039
None Unchecked Activity nan None 10.1021/acs.jnatprod.1c01190
None Unchecked Hepatotoxicity (acute) 0.0 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) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 10.0 nM 10.1021/np960231c
None Unchecked IC50 33.0 nM 10.1021/jm970568r
None Unchecked IC50 580.0 nM 10.1021/jm9601819
None Unchecked IC50 590.0 nM 10.1016/j.bmcl.2017.05.078
None Unchecked IC50 590.1 nM 10.1016/j.ejmech.2020.112616
None Unchecked IC50 730.0 nM 10.1016/j.bmc.2007.04.036
None Unchecked IC50 730.0 nM 10.1016/j.bmcl.2009.02.119
None Unchecked IC50 760.0 nM 10.1021/acs.jnatprod.9b00886
None Unchecked IC50 14500.0 nM 10.1016/j.bmc.2019.115081
None Unchecked IC50 nan nM 10.1021/jm00009a006
None Unchecked IC50 nan nM 10.1021/jm040202w
None Unchecked IC50 nan None None
None Unchecked Inhibition 3.7 % 10.1016/j.ejmech.2016.05.059
None Unchecked Inhibition 94.29 % 10.1016/j.bmcl.2017.05.078
None Unchecked Ki 54.7 nM 10.1016/S0960-894X(97)10156-1
None Unchecked Ki 88.2 nM 10.1016/S0960-894X(97)10156-1
None Unchecked Ki 150.0 nM 10.1021/jm00014a015
None Unchecked Ki 11000.0 nM 10.1021/jm00014a015
None Unchecked Ki 11000.0 nM 10.1021/jm00041a014
None Unchecked Ki nan None None
None Unchecked -log(RatioIC50) 0.26 None 10.1016/j.ejmech.2009.10.030
None Unchecked Potency 3162.3 nM None
None Unchecked Potency 6309.6 nM None
None Unchecked Ratio 0.001 None 10.1093/toxsci/kft176
None Unchecked Ratio 0.00147 None 10.1093/toxsci/kft176
None Unchecked T1/2 4.7 hr 10.1016/j.ejmech.2017.06.019

Metabolism Information