Navigation

name Structure Reference Source Properties Activities Metabolism

methyl N-[(2E)-5-benzoyl-1,3-dihydro-1,3-benzodiazol-2-ylidene]carbamate

AlkaPlorer ID: AK067599

Synonym: None

IUPAC Name: methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate

Structure

SMILES: COC(O)=NC1=NC2=CC=C(C(=O)C3=CC=CC=C3)C=C2N1

copy

InChI: InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)

copy

InChIKey: OPXLLQIJSORQAM-UHFFFAOYSA-N

copy

Reference

PubChem CID: 4030

CAS: 31431-39-7

NPASS: NPC480276

COCONUT: CNP0326820

Properties Information

Molecule Weight: 295.298

TPSA？: 87.57

MolLogP？: 2.985800000000001

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 19.38 % 10.6019/CHEMBL4513141
Acinetobacter baumannii Acinetobacter baumannii MIC 10000.0 nM 10.6019/CHEMBL4513149
Bacillus anthracis Anthrax lethal factor Potency 2511.9 nM None
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Brugia pahangi Brugia pahangi Reduction 12.5 % 10.1021/jm00373a017
Brugia pahangi Brugia pahangi Reduction 100.0 % 10.1021/jm00373a017
Caenorhabditis elegans Caenorhabditis elegans IC50 10.0 ppm 10.1021/np50112a010
Candida albicans Candida albicans Inhibition 4.65 % 10.6019/CHEMBL4513141
Candida albicans Candida albicans MIC 10000.0 nM 10.6019/CHEMBL4513149
Canis lupus familiaris Canis familiaris AUC 236.24 ng.hr.mL-1 10.1021/acs.jmedchem.7b01792
Canis lupus familiaris Canis familiaris AUC 265.77 ng.hr.mL-1 10.1021/acs.jmedchem.7b01792
Canis lupus familiaris Canis familiaris CL 22.2 mL.min-1.kg-1 10.1021/acs.jmedchem.7b01792
Canis lupus familiaris Canis familiaris Cmax 200.0 nM 10.1021/acs.jmedchem.7b01792
Canis lupus familiaris Canis familiaris Cmax 2200.0 nM 10.1021/acs.jmedchem.7b01792
Canis lupus familiaris Canis familiaris F 11.0 % 10.1021/acs.jmedchem.7b01792
Canis lupus familiaris Canis familiaris T1/2 0.72 hr 10.1021/acs.jmedchem.7b01792
Canis lupus familiaris Canis familiaris Tmax 0.083 hr 10.1021/acs.jmedchem.7b01792
Canis lupus familiaris Canis familiaris Tmax 2.0 hr 10.1021/acs.jmedchem.7b01792
Canis lupus familiaris Canis familiaris Vd 1.3 L.kg-1 10.1021/acs.jmedchem.7b01792
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
Cricetinae gen. sp. Cricetinae gen. sp. Animals cured 37.5 % 10.1021/jm00157a032
Cricetinae gen. sp. Cricetinae gen. sp. Animals cured 100.0 % 10.1021/jm00157a032
Cricetinae gen. sp. Cricetinae gen. sp. Worm reduction 72.0 % 10.1021/jm00157a032
Cricetinae gen. sp. Cricetinae gen. sp. Worm reduction 100.0 % 10.1021/jm00157a032
Cryptococcus neoformans Cryptococcus neoformans Inhibition 41.35 % 10.6019/CHEMBL4513141
Cryptococcus neoformans Cryptococcus neoformans MIC 10000.0 nM 10.6019/CHEMBL4513149
Cryptosporidium parvum Cryptosporidium parvum Activity nan None 10.1016/j.bmcl.2012.06.050
Escherichia coli Escherichia coli Inhibition 3.86 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli MIC 10000.0 nM 10.6019/CHEMBL4513149
Escherichia coli K-12 Beta-lactamase AmpC Inhibition 5.0 % 10.1021/jm030191r
Escherichia coli K-12 Methionine aminopeptidase IC50 10000.0 nM 10.1021/jm050476z
Escherichia coli K-12 Methionine aminopeptidase Inhibition 28.99 % 10.1021/jm050476z
Escherichia coli K-12 Methionine aminopeptidase Inhibition nan % 10.1021/jm050476z
Giardia intestinalis Giardia intestinalis IC50 55.0 nM 10.1016/j.ejmech.2012.03.014
Giardia intestinalis Giardia intestinalis IC50 60.0 nM 10.1021/acs.jmedchem.0c00910
Haemonchus contortus Haemonchus contortus Reduction 95.0 % 10.1016/j.bmcl.2005.02.089
Hepatitis B virus Hepatitis B virus IC50 1000000.0 nM 10.1016/j.bmc.2015.01.020
Homo sapiens A549 Activity 50.77 % 10.1016/j.ejmech.2017.11.037
Homo sapiens A549 Activity 61.53 % 10.1016/j.ejmech.2017.11.037
Homo sapiens A549 EC50 900.0 nM 10.1016/j.ejmech.2017.11.037
Homo sapiens A549/TR EC50 1700.0 nM 10.1016/j.ejmech.2017.11.037
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 10000.0 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 10000.0 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 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 Aldehyde dehydrogenase 1A1 Potency 11220.2 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 39810.7 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 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 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 IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump AC50 299999.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bradykinin B2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Caco-2 Papp 4.34 ucm/s 10.1016/j.ejmech.2012.03.014
Homo sapiens Caco-2 Papp 5.15 ucm/s 10.1016/j.ejmech.2012.03.014
Homo sapiens Caco-2 Ratio 0.84 None 10.1016/j.ejmech.2012.03.014
Homo sapiens Caco-2 Ratio 1.18 None 10.1016/j.ejmech.2012.03.014
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Calu-1 EC50 1100.0 nM 10.1016/j.ejmech.2017.11.037
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 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 10000.0 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 Chymotrypsin C Inhibition 5.0 % 10.1021/jm030191r
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 AC50 3981.07 nM None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2C9 Potency 1584.9 nM None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
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 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 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 Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Ferrochelatase, mitochondrial Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens Galactocerebrosidase Potency 631.0 nM None
Homo sapiens Geminin Potency 285.7 nM None
Homo sapiens Geminin Potency 508.1 nM None
Homo sapiens Ghrelin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens HEK293 CC50 10000.0 nM 10.6019/CHEMBL4513149
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 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 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 Histone deacetylase 6 Inhibition -5.79 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 6.52 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 EC50 30000.0 nM 10.1016/j.bmcl.2012.06.050
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens CL 14.8 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 15.0 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 15.0 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.17 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.2 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 3.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens F 17.0 % 10.1021/acs.jmedchem.7b01792
Homo sapiens Homo sapiens F 22.0 % 10.1021/acs.jmedchem.7b01792
Homo sapiens Homo sapiens Fa 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.22 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 0.62 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.36 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 1.2 L.kg-1 10.1021/jm901371v
Homo sapiens Huntingtin Potency 5623.4 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 794.3 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 3162.3 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 Kappa opioid receptor AC50 10000.0 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 CL 16.0 mL.min-1.g-1 10.1124/dmd.113.051177
Homo sapiens Liver cytosol CL 11.0 mL.min-1.g-1 10.1124/dmd.113.051177
Homo sapiens Liver cytosol Drug metabolism nan None 10.1124/dmd.113.051177
Homo sapiens Liver microsome CL 9.0 mL.min-1.g-1 10.1124/dmd.113.051177
Homo sapiens Liver microsome Drug metabolism nan None 10.1124/dmd.113.051177
Homo sapiens Malate dehydrogenase cytoplasmic Inhibition 15.0 % 10.1021/jm030191r
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens 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 10000.0 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 Methionine aminopeptidase 1 Inhibition nan % 10.1016/j.bmcl.2010.05.093
Homo sapiens Methionine aminopeptidase 2 Inhibition nan % 10.1016/j.bmcl.2010.05.093
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 Multidrug resistance-associated protein 4 IC50 15500.0 nM 10.1093/toxsci/kft176
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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 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 NCI-H157 EC50 3500.0 nM 10.1016/j.ejmech.2017.11.037
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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Norepinephrine transporter AC50 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 PC-3 Activity 35.77 % 10.1016/j.ejmech.2017.11.037
Homo sapiens PC-3 Activity 63.43 % 10.1016/j.ejmech.2017.11.037
Homo sapiens PC-3 EC50 1100.0 nM 10.1016/j.ejmech.2017.11.037
Homo sapiens PC-3M EC50 1210.0 nM 10.1016/j.ejmech.2017.11.037
Homo sapiens P-glycoprotein 1 Activity nan None None
Homo sapiens P-glycoprotein 1 % maximum response 38.6 % None
Homo sapiens P-glycoprotein 1 Papp 648.0 nm/s None
Homo sapiens P-glycoprotein 1 Papp 714.0 nm/s None
Homo sapiens P-glycoprotein 1 Ratio_ATPase activity 2.0 None None
Homo sapiens P-glycoprotein 1 Ratio_Papp 0.91 None None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 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 Porphobilinogen deaminase Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens Pregnane X receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 891.3 nM None
Homo sapiens Progesterone receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor 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 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 30000.0 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 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 SK-OV-3 EC50 500.0 nM 10.1016/j.ejmech.2017.11.037
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 159.55 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 99.0 % 10.1124/mol.112.084152
Homo sapiens Thromboxane A2 receptor AC50 10000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase ABL IC50 5000.0 nM 10.1016/j.bmcl.2012.06.050
Homo sapiens Tyrosine-protein kinase ABL Ki 4600.0 nM 10.1021/jm201725v
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 Tyrosine-protein kinase SRC IC50 10000.0 nM 10.1016/j.bmcl.2012.06.050
Homo sapiens Tyrosine-protein kinase SRC Ki 10000.0 nM 10.1021/jm201725v
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 254.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 326.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 359.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 461.1 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 15848.9 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 IC50 3600.0 nM 10.1021/jm300576q
Homo sapiens Vascular endothelial growth factor receptor 2 IC50 4300.0 nM 10.1016/j.ejmech.2021.113268
Homo sapiens Vascular endothelial growth factor receptor 2 IC50 8800.0 nM 10.1021/jm300576q
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 11.43 % 10.6019/CHEMBL4513141
Klebsiella pneumoniae Klebsiella pneumoniae MIC 10000.0 nM 10.6019/CHEMBL4513149
Litomosoides carinii Litomosoides carinii Reduction 97.0 % 10.1021/jm00373a017
Litomosoides carinii Litomosoides carinii Reduction 100.0 % 10.1021/jm00373a017
Litomosoides carinii Litomosoides carinii Reduction of live worms 97.0 % 10.1021/jm00363a010
Litomosoides carinii Litomosoides carinii Reduction of live worms 100.0 % 10.1021/jm00363a010
Mastomys natalensis Mastomys natalensis Death 0.0 % 10.1021/jm00157a032
Mastomys natalensis Mastomys natalensis Death 85.4 % 10.1021/jm00157a032
Mastomys natalensis Mastomys natalensis Death 100.0 % 10.1021/jm00157a032
Mastomys natalensis Mastomys natalensis Removal of microfilariae 0.0 % 10.1021/jm00157a032
Mastomys natalensis Mastomys natalensis Removal of microfilariae 53.1 % 10.1021/jm00157a032
Mastomys natalensis Mastomys natalensis Removal of microfilariae 65.3 % 10.1021/jm00157a032
Mastomys natalensis Mastomys natalensis Removal of microfilariae 85.5 % 10.1021/jm00157a032
Mastomys natalensis Mastomys natalensis Removal of microfilariae 100.0 % 10.1021/jm00157a032
Mus musculus Indoleamine 2,3-dioxygenase 2 Inhibition 55.0 % 10.1016/j.bmcl.2012.10.010
Mus musculus Mus musculus Activity 5.0 % 10.1016/j.ejmech.2017.11.037
Mus musculus Mus musculus Animals cured 0.0 % 10.1021/jm00157a032
Mus musculus Mus musculus Animals cured 66.6 % 10.1021/jm00157a032
Mus musculus Mus musculus AUC 797.31 ng.hr.mL-1 10.1021/acs.jmedchem.7b01792
Mus musculus Mus musculus CL 27.4 mL.min-1.kg-1 10.1021/acs.jmedchem.7b01792
Mus musculus Mus musculus Cmax 5300.0 nM 10.1021/acs.jmedchem.7b01792
Mus musculus Mus musculus MST 113.0 day 10.1016/j.ejmech.2021.113268
Mus musculus Mus musculus T1/2 0.73 hr 10.1021/acs.jmedchem.7b01792
Mus musculus Mus musculus Tmax 0.083 hr 10.1021/acs.jmedchem.7b01792
Mus musculus Mus musculus Vd 1.4 L.kg-1 10.1021/acs.jmedchem.7b01792
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Naegleria gruberi Naegleria gruberi Inhibition 29.8 % 10.6019/CHEMBL4513101
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 Potency 1438.2 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 13.95 % 10.6019/CHEMBL4513141
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 10000.0 nM 10.6019/CHEMBL4513149
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 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Inositol monophosphatase 1 Potency 28183.8 nM 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 600.1 nM None
Rattus norvegicus Peripheral myelin protein 22 Potency 15471.9 nM None
Rattus norvegicus Plasma Fu 0.086 None 10.1021/jm901371v
Rattus norvegicus Rattus norvegicus ALB 38700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 399.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 423.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 425.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 458.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 464.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 481.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 57.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 60.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 64.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 73.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 77.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 78.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Animals cured 0.0 % 10.1021/jm00157a032
Rattus norvegicus Rattus norvegicus AST 84.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 86.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 86.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 88.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 89.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 90.67 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 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 121.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 123.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 130.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 140.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 141.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 98.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 553.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 646.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 650.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 680.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 746.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 751.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 244.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 274.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 287.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 367.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 401.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 464.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30500000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 34170000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 34330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.5 ug.mL-1 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 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.1 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Death 33.8 % 10.1021/jm00157a032
Rattus norvegicus Rattus norvegicus Death 100.0 % 10.1021/jm00157a032
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1376.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1426.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1453.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1490.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1628.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 32.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.03 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.07 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.9 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.22 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 126000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 132000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 132700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 136700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 138500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 140300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 111.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 129.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 139.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 142.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 145.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 159.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 6435.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8295.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8770.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 9244.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11176.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11722.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 93.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.93 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.13 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.48 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.53 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.57 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.93 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 381000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 382500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 385000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 387700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 390300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 394300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.9 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.75 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.08 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.27 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.63 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.5 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 64.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 84.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 102.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 118.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 130.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 141.33 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 NEUTLE 5.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 488.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 501.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 713.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 869.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 970.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1305.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 97.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 102.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 103.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 108.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 111.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 112.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 727670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 883830.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 983000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 989000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1199000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1226670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.13 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.24 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.58 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.98 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.13 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.38 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 55300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 57700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5060000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5430000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5500000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5570000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5730000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5740000.0 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 RBCNUC 0.33 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Reduction 0.0 % 10.1021/jm00149a036
Rattus norvegicus Rattus norvegicus Removal of microfilariae 48.8 % 10.1021/jm00157a032
Rattus norvegicus Rattus norvegicus Removal of microfilariae 57.7 % 10.1021/jm00157a032
Rattus norvegicus Rattus norvegicus Removal of microfilariae 58.6 % 10.1021/jm00157a032
Rattus norvegicus Rattus norvegicus Removal of microfilariae 74.3 % 10.1021/jm00157a032
Rattus norvegicus Rattus norvegicus Removal of microfilariae 96.3 % 10.1021/jm00157a032
Rattus norvegicus Rattus norvegicus Removal of microfilariae 100.0 % 10.1021/jm00157a032
Rattus norvegicus Rattus norvegicus SODIUM 143.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.93 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.4 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.1 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 5.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 6.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 7.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 7.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 8.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 7070.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9350.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9400.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10220.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12600.0 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 Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 31.63 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 35.63 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.2334 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.61 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.67 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 13.81 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.1013 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Inhibition 7.86 % 10.6019/CHEMBL4513141
Staphylococcus aureus Staphylococcus aureus MIC 10000.0 nM 10.6019/CHEMBL4513149
Toxoplasma gondii Calmodulin-domain protein kinase 1 IC50 670.0 nM 10.1016/j.bmcl.2012.06.050
Toxoplasma gondii Toxoplasma gondii Activity nan None 10.1016/j.bmcl.2012.06.050
Tritrichomonas suis Tritrichomonas suis MIC 1.6 ug.mL-1 10.1021/acs.jnatprod.7b00816
None ADMET AUC 3809.37 ng.hr.mL-1 10.1021/acs.jmedchem.7b01792
None ADMET AUCt 13.1 nmol.hr/g 10.1021/acs.jmedchem.7b01792
None ADMET Biotransformation nan None 10.1038/s41586-019-1291-3
None ADMET BPR 1.0 None 10.1021/acs.jmedchem.7b01792
None ADMET CC50 1000000.0 nM 10.1016/j.bmc.2015.01.020
None ADMET CL 1.8 mL.min-1.g-1 10.1124/dmd.113.051177
None ADMET CL 8.8 mL.min-1.g-1 10.1124/dmd.113.051177
None ADMET CL 15.0 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET CL 45.0 mL.min-1.g-1 10.1124/dmd.113.051177
None ADMET CL 61.0 mL.min-1.g-1 10.1124/dmd.113.051177
None ADMET Cmax 5.1 nmol/g 10.1021/acs.jmedchem.7b01792
None ADMET Cmax 5100.0 nM 10.1021/acs.jmedchem.7b01792
None ADMET Cp 2.86 nmol/ml 10.1021/acs.jmedchem.7b01792
None ADMET delta logD 0.0 None 10.1021/jm0000564
None ADMET Drug metabolism nan None 10.1124/dmd.113.051177
None ADMET EC50 30000.0 nM 10.1016/j.bmcl.2012.06.050
None ADMET F 20.0 % 10.1021/jm0000564
None ADMET F 24.0 % 10.1021/acs.jmedchem.7b01792
None ADMET MRT 1.3 hr 10.1124/dmd.108.020479
None ADMET Stability 90.0 % 10.1124/dmd.113.051177
None ADMET Stability 100.0 % 10.1021/acs.jmedchem.7b01792
None ADMET Stability nan % 10.1124/dmd.113.051177
None ADMET T1/2 1.1 hr 10.1124/dmd.108.020479
None ADMET Tmax 1.0 hr 10.1021/acs.jmedchem.7b01792
None ADMET Vdss 1.2 L.kg-1 10.1124/dmd.108.020479
None Erythrocyte HC10 10.0 uM 10.6019/CHEMBL4513149
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 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 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 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 1.0 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 LTKB_BD DILI severity score 3.0 None 10.1016/j.drudis.2011.05.007
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports nan None 10.2174/1570163043334794
None NON-PROTEIN TARGET Fu 0.086 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 1.0 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) 13.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 30.0 % 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 Potency 1.1 nM None
None NON-PROTEIN TARGET Potency 4727.7 nM None
None NON-PROTEIN TARGET Potency 11875.4 nM None
None NON-PROTEIN TARGET Potency 14950.2 nM None
None NON-PROTEIN TARGET TIME 0.2257 hr 10.1016/j.ejmech.2006.11.015
None NON-PROTEIN TARGET TIME 0.2308 hr 10.1016/j.ejmech.2006.11.015
None NON-PROTEIN TARGET TIME 0.2975 hr 10.1016/j.ejmech.2006.11.015
None NON-PROTEIN TARGET TIME 0.3817 hr 10.1016/j.ejmech.2006.11.015
None NON-PROTEIN TARGET TIME 0.4008 hr 10.1016/j.ejmech.2006.11.015
None NON-PROTEIN TARGET TIME 0.494 hr 10.1016/j.ejmech.2006.11.015
None No relevant target log1/S 5.43 None 10.1016/j.ejmech.2012.03.014
None No relevant target LogD 2.83 None 10.1021/jm0000564
None No relevant target LogD 3.73 None 10.1016/j.ejmech.2012.03.014
None No relevant target LogD7.4 2.9 None 10.6019/CHEMBL3301361
None No relevant target logKw 1.68 None 10.1016/j.ejmech.2012.03.014
None No relevant target LogP 2.26 None 10.1021/jm801441s
None No relevant target LogP 2.42 None 10.1021/jm801441s
None No relevant target LogP nan None 10.1016/j.bmcl.2005.02.089
None No relevant target Papp 48.5 ucm/s 10.1124/dmd.113.051177
None No relevant target pKa nan None 10.1021/jm0000564
None No relevant target solubility nan None 10.1016/j.ejmech.2017.11.037
None No relevant target Solubility 0.4 ug.mL-1 10.1021/acs.jmedchem.7b01792
None No relevant target Solubility 1.0 ug.mL-1 10.1016/j.ejmech.2017.11.037
None No relevant target Solubility 1.11 ug.mL-1 10.1016/j.ejmech.2012.03.014
None No relevant target Solubility 40.0 ug.mL-1 10.1016/j.bmc.2022.116614
None No relevant target Solubility 1000.0 nM 10.6019/CHEMBL3301361
None Unchecked Ac50 0.1219 uM None
None Unchecked Ac50 1.259 uM None
None Unchecked Ac50 1.413 uM None
None Unchecked Ac50 3.435 uM None
None Unchecked Ac50 3.854 uM None
None Unchecked Ac50 4.324 uM None
None Unchecked Ac50 4.852 uM None
None Unchecked Ac50 5.623 uM None
None Unchecked Ac50 6.853 uM None
None Unchecked AC50 1258.9 nM None
None Unchecked AC50 1412.5 nM None
None Unchecked AC50 4324.0 nM None
None Unchecked AC50 4851.6 nM None
None Unchecked AC50 5623.4 nM None
None Unchecked AC50 5630.0 nM None
None Unchecked AC50 6107.8 nM None
None Unchecked Activity 24.94 % 10.1016/j.ejmech.2017.11.037
None Unchecked Activity 53.93 % 10.1016/j.ejmech.2017.11.037
None Unchecked Activity nan None 10.1016/j.ejmech.2017.11.037
None Unchecked EC50 500.0 nM 10.1016/j.ejmech.2017.11.037
None Unchecked EC50 700.0 nM 10.1016/j.ejmech.2017.11.037
None Unchecked Hepatotoxicity (acute) 3.0 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) 3.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 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 54.2 nM None
None Unchecked IC50 64.8 nM None
None Unchecked IC50 76.1 nM None
None Unchecked IC50 80.0 nM None
None Unchecked IC50 245.4 nM None
None Unchecked IC50 369.9 nM None
None Unchecked IC50 920.0 nM 10.1016/j.bmcl.2012.06.050
None Unchecked IC50 1738.7 nM None
None Unchecked IC50 10000.0 nM None
None Unchecked IC50 200000.0 nM 10.1021/acs.jmedchem.1c00354
None Unchecked IC50 nan None None
None Unchecked Inhibition 47.0 % 10.1016/j.bmcl.2010.05.093
None Unchecked Inhibition nan % 10.1016/j.bmcl.2010.05.093
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.6b01264
None Unchecked Ki 340.0 nM 10.1021/jm201725v
None Unchecked Ki 440.0 nM 10.1021/jm201725v
None Unchecked Ki nan None None
None Unchecked Potency 1000.0 nM None
None Unchecked Potency 2511.9 nM None
None Unchecked Potency 3162.3 nM None
None Unchecked Ratio EC50 2.0 None 10.1016/j.ejmech.2017.11.037
None Unchecked Ratio Ki 10.0 None 10.1021/jm201725v
None Unchecked T1/2 2.5 hr 10.1021/acs.jmedchem.0c00910
None Unchecked T/C 0.31 None 10.1016/j.ejmech.2017.11.037
None Unchecked Vmax 4.0 milli optical density/minute 10.1021/acs.jmedchem.6b01264

Metabolism Information