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name Structure Reference Source Properties Activities Metabolism

5-amino-[3,4'-bipyridin]-6-ol

AlkaPlorer ID: AK111450

Synonym: None

IUPAC Name: 3-amino-5-pyridin-4-yl-1H-pyridin-2-one

Structure

SMILES: NC1=C(O)N=CC(C2=CC=NC=C2)=C1

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InChI: InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)

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InChIKey: RNLQIBCLLYYYFJ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pogostemon cablin Pogostemon Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 187.20200000000003

TPSA？: 72.03

MolLogP？: 1.4313999999999998

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 5623.4 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 6309.6 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 13230.9 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 56234.1 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 166670.0 nM None
Bos taurus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Bos taurus Monoamine oxidase B Activity nan None 10.1021/jm800656v
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Canis lupus familiaris Canis familiaris Change -10.0 % 10.1021/jm00391a026
Canis lupus familiaris Canis familiaris Change -9.0 % 10.1021/jm00383a006
Canis lupus familiaris Canis familiaris Change 9.0 % 10.1021/jm00122a011
Canis lupus familiaris Canis familiaris Change 11.0 % 10.1021/jm00383a006
Canis lupus familiaris Canis familiaris Change 12.0 % 10.1021/jm00391a026
Canis lupus familiaris Canis familiaris Change 19.0 % 10.1021/jm00163a052
Canis lupus familiaris Canis familiaris Change 32.0 % 10.1021/jm00122a011
Canis lupus familiaris Canis familiaris Change 85.0 % 10.1021/jm00122a011
Canis lupus familiaris Canis familiaris Change 134.0 % 10.1021/jm00391a026
Canis lupus familiaris Canis familiaris Change 165.0 % 10.1021/jm00122a011
Canis lupus familiaris Canis familiaris Change of CF 6.5 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of CF 22.4 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of CF 79.7 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of CO 1.9 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of CO 15.6 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of CO 36.5 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of DBP -14.1 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of DBP -4.7 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of DBP -4.1 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of HR 1.2 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of HR 3.8 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of HR 8.1 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of SBP -5.5 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of SBP -5.0 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Change of SBP -2.7 % 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris Decrease in MAP nan None 10.1021/jm00388a014
Canis lupus familiaris Canis familiaris DOSE 0.389 mg.kg-1 10.1021/jm00148a006
Canis lupus familiaris Canis familiaris dP/dt 6.7 max 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris dP/dt 22.3 max 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris dP/dt 54.8 max 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris ED15 200.0 ug 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris ED30 472.0 ug kg-1 10.1021/jm00390a007
Canis lupus familiaris Canis familiaris ED50 0.38 mg.kg-1 10.1021/jm00391a026
Canis lupus familiaris Canis familiaris ED50 0.389 mg.kg-1 10.1021/jm00388a014
Canis lupus familiaris Canis familiaris ED50 0.389 mg.kg-1 10.1021/jm00394a005
Canis lupus familiaris Canis familiaris ED50 0.39 mg.kg-1 10.1021/jm00394a006
Canis lupus familiaris Canis familiaris ED50 1.3 mg.kg-1 10.1021/jm00383a006
Canis lupus familiaris Canis familiaris ED50 1.891 mg.kg-1 10.1021/jm00155a009
Canis lupus familiaris Canis familiaris Heart rate 13.0 beats min-1 10.1021/jm00155a009
Canis lupus familiaris Canis familiaris Increase 6.0 % 10.1021/jm00148a006
Canis lupus familiaris Canis familiaris Increase 18.0 % 10.1021/jm00148a006
Canis lupus familiaris Canis familiaris Increase 23.0 % 10.1021/jm00148a006
Canis lupus familiaris Canis familiaris Increase 45.0 % 10.1021/jm00148a006
Canis lupus familiaris Canis familiaris Increase in HR nan None 10.1021/jm00388a014
Canis lupus familiaris Canis familiaris MAP 16.0 beats min-1 10.1021/jm00155a009
Canis lupus familiaris Canis familiaris Mean ED50 0.389 mg kg-1 10.1021/jm00375a001
Canis lupus familiaris Canis familiaris Ratio 0.23 None 10.1021/jm00122a011
Cavia porcellus Cavia porcellus EC20 62.0 uM 10.1021/jm970089s
Cavia porcellus Cavia porcellus EC50 7400.0 nM 10.1021/jm970089s
Cavia porcellus Cavia porcellus Increase 4.5 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 4.62 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 6.49 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 7.08 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 8.85 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 11.52 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 15.68 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 17.52 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 17.92 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 23.34 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 23.92 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 24.11 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 25.3 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 26.3 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 27.0 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 28.81 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 30.69 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Increase 34.6 % 10.1021/jm00069a005
Cavia porcellus Cavia porcellus Inhibition 49.0 % 10.1021/jm00114a010
Cavia porcellus Cavia porcellus Inhibition 100.0 % 10.1021/jm00114a010
Cavia porcellus Cavia porcellus Variation 0.0 % 10.1021/jm9508649
Cavia porcellus Cavia porcellus Variation 0.52 % 10.1021/jm9508649
Cavia porcellus Cavia porcellus Variation 1.5 % 10.1021/jm9508649
Cavia porcellus Cavia porcellus Variation 4.5 % 10.1021/jm9508649
Cavia porcellus Cavia porcellus Variation 6.25 % 10.1021/jm9508649
Cavia porcellus Cavia porcellus Variation 7.2 % 10.1021/jm9508649
Cavia porcellus Cavia porcellus Variation 9.87 % 10.1021/jm9508649
Cavia porcellus Cavia porcellus Variation 10.22 % 10.1021/jm9508649
Cavia porcellus Cavia porcellus Variation 19.03 % 10.1021/jm9508649
Cavia porcellus Cavia porcellus Variation 23.12 % 10.1021/jm9508649
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
Cryptosporidium parvum Cryptosporidium parvum IC50 nan None 10.1016/j.bmc.2010.01.068
Entamoeba histolytica Entamoeba histolytica IC50 nan None 10.1016/j.bmc.2010.01.068
Equus caballus Ferritin light chain Potency 281.8 nM None
Escherichia coli K-12 Beta-lactamase AmpC Inhibition 5.0 % 10.1021/jm030191r
Escherichia coli K-12 Beta-lactamase AmpC Potency 44668.4 nM None
Felis catus Felis catus Control 143.0 % 10.1021/jm00383a006
Felis catus Felis catus Control 190.0 % 10.1021/jm00383a006
Felis catus Felis catus Increase 50.0 % 10.1021/jm00158a022
Felis catus Felis catus Response ratio 0.61 None 10.1021/jm00383a006
Felis catus Felis catus Response ratio 1.25 None 10.1021/jm00383a006
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 1774.1 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 3539.7 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 3971.6 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 12589.3 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 14125.4 nM None
Homo sapiens 1-acylglycerol-3-phosphate O-acyltransferase ABHD5/Perilipin-5 IC50 78816.0 nM None
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 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 28183.8 nM None
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 2300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Alpha-galactosidase A Potency 1258.9 nM None
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Arachidonate 12-lipoxygenase Potency 17782.8 nM None
Homo sapiens Arachidonate 15-lipoxygenase Potency 11220.2 nM None
Homo sapiens Arachidonate 15-lipoxygenase Potency 12589.3 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 7307.8 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 15848.9 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 39810.7 nM None
Homo sapiens Aurora kinase B/Inner centromere protein Ki 59300.0 nM 10.1016/j.bmc.2018.04.033
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 Inotropic effect 57.0 None 10.1021/jm00385a001
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 IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 135000.0 nM 10.1093/toxsci/kfq269
Homo sapiens Bile salt export pump IC50 370800.0 nM 10.1124/dmd.112.047068
Homo sapiens Bloom syndrome protein Potency 22387.2 nM None
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 Casein kinase I delta Inhibition 40.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Caspase-1 Potency 19952.6 nM None
Homo sapiens Caspase-1 Potency 39810.7 nM None
Homo sapiens Cathepsin G IC50 nan None None
Homo sapiens Cathepsin G Ki nan None None
Homo sapiens C-C chemokine receptor type 2 IC50 nan None None
Homo sapiens C-C chemokine receptor type 2 Ki nan None None
Homo sapiens C-C chemokine receptor type 4 IC50 nan None None
Homo sapiens C-C chemokine receptor type 4 Ki nan None None
Homo sapiens C-C chemokine receptor type 5 IC50 nan None None
Homo sapiens C-C chemokine receptor type 5 Ki nan None None
Homo sapiens 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 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 AC50 15848.93 nM None
Homo sapiens Cytochrome P450 1A2 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 5011.87 nM None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C19 Potency 5011.9 nM None
Homo sapiens Cytochrome P450 2C9 AC50 12589.25 nM 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 12589.3 nM None
Homo sapiens Cytochrome P450 2D6 AC50 12589.25 nM None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2D6 Potency 12589.3 nM 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 3162.28 nM None
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Potency 3162.3 nM None
Homo sapiens Cytochrome P450 3A4 Potency 19952.6 nM 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 DNA-(apurinic or apyrimidinic site) lyase Potency 14125.4 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 22387.2 nM None
Homo sapiens DNA polymerase eta Potency 89125.1 nM None
Homo sapiens DNA polymerase iota Potency 10000.0 nM None
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 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 Dual specificity protein kinase TTK Inhibition 50.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Dual specificity protein kinase TTK Ki 80800.0 nM 10.1016/j.bmc.2018.04.033
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 1258.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 10000.0 nM None
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens 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 IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Geminin Potency 51.7 nM None
Homo sapiens Ghrelin 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 Glutaminase kidney isoform, mitochondrial Potency 31622.8 nM None
Homo sapiens Glycogen synthase kinase-3 beta Inhibition 9.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 Potency 20596.2 nM None
Homo sapiens Hepatocyte growth factor receptor Inhibition 0.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens HepG2 Potency 5623.4 nM None
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -0.63 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 4.59 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 5623.4 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 44668.4 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 0.93 % 10.1016/j.ejmech.2009.11.034
Homo sapiens Homo sapiens CL 8.9 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 3.1 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 5.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fabs 93.0 % 10.1124/dmd.110.034629
Homo sapiens Homo sapiens IC50 15000.0 nM 10.1021/jm00122a011
Homo sapiens Homo sapiens IC50 50000.0 nM 10.1021/jm00122a011
Homo sapiens Homo sapiens IC50 250000.0 nM 10.1021/jm00122a011
Homo sapiens Homo sapiens IC50 500000.0 nM 10.1021/jm00122a011
Homo sapiens Huntingtin Potency 501.2 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 3981.1 nM None
Homo sapiens Importin subunit beta-1/Snurportin-1 Potency 100000.0 nM None
Homo sapiens Insulin receptor Inhibition 1.0 % 10.1016/j.bmc.2018.04.033
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 Lysine-specific demethylase 4D-like Potency 1122.0 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 15848.9 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 39810.7 nM None
Homo sapiens Mannose-6-phosphate isomerase IC50 50000.0 nM None
Homo sapiens MAP kinase-activated protein kinase 2 Inhibition 1.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens MAP kinase-activated protein kinase 5 Inhibition 0.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Inhibition 0.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Inhibition 0.0 % 10.1016/j.bmc.2018.04.033
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 Inhibition 0.0 % 10.1016/j.bmc.2018.04.033
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 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 Menin/Histone-lysine N-methyltransferase MLL Potency 6309.6 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 15848.9 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 35481.3 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Microtubule-associated protein tau Potency 1412.5 nM None
Homo sapiens Microtubule-associated protein tau Potency 1995.3 nM None
Homo sapiens Microtubule-associated protein tau Potency 3548.1 nM None
Homo sapiens Microtubule-associated protein tau Potency 4466.8 nM None
Homo sapiens Microtubule-associated protein tau Potency 5011.9 nM None
Homo sapiens Microtubule-associated protein tau Potency 8912.5 nM None
Homo sapiens Microtubule-associated protein tau Potency 10000.0 nM None
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 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 Muscleblind-like protein 1 Potency 14125.4 nM None
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 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 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 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 22387.2 nM None
Homo sapiens Perilipin-1/ABHD5 IC50 79476.0 nM None
Homo sapiens Phosphodiesterase 1 IC50 300000.0 nM 10.1021/jm970089s
Homo sapiens Phosphodiesterase 1 IC50 1000000.0 nM 10.1021/jm00394a005
Homo sapiens Phosphodiesterase 1 IC50 1000000.0 nM 10.1021/jm00394a006
Homo sapiens Phosphodiesterase 1 IC50 1000000.0 nM 10.1021/jm50001a001
Homo sapiens Phosphodiesterase 2A IC50 580000.0 nM 10.1021/jm00394a005
Homo sapiens Phosphodiesterase 2A IC50 580000.0 nM 10.1021/jm00394a006
Homo sapiens Phosphodiesterase 2A IC50 700000.0 nM 10.1021/jm00394a006
Homo sapiens Phosphodiesterase 2A IC50 700000.0 nM 10.1021/jm50001a001
Homo sapiens Phosphodiesterase 2A IC50 720000.0 nM 10.1021/jm00394a005
Homo sapiens Phosphodiesterase 3 IC50 16000.0 nM 10.1021/jm00122a011
Homo sapiens Phosphodiesterase 3 IC50 16000.0 nM 10.1021/jm970089s
Homo sapiens Phosphodiesterase 3 IC50 16700.0 nM 10.1021/acsmedchemlett.3c00092
Homo sapiens Phosphodiesterase 3 IC50 28000.0 nM 10.1021/jm00028a007
Homo sapiens Phosphodiesterase 3 IC50 35000.0 nM 10.1021/jm50001a001
Homo sapiens Phosphodiesterase 3 IC50 46000.0 nM 10.1021/jm00394a006
Homo sapiens Phosphodiesterase 3 IC50 50000.0 nM 10.1021/jm00375a001
Homo sapiens Phosphodiesterase 3 IC50 50000.0 nM 10.1021/jm00394a005
Homo sapiens Phosphodiesterase 3 IC50 60000.0 nM 10.1021/jm00391a026
Homo sapiens Phosphodiesterase 3 IC50 150000.0 nM 10.1021/jm00155a009
Homo sapiens Phosphodiesterase 3 Ratio 3.1 None 10.1021/jm00122a011
Homo sapiens Phosphodiesterase 3A AC50 22934.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4 IC50 41000.0 nM 10.1021/jm00163a052
Homo sapiens Phosphodiesterase 4 IC50 101000.0 nM 10.1021/jm970089s
Homo sapiens Phosphodiesterase 4 IC50 126000.0 nM 10.1021/jm00114a010
Homo sapiens Phosphodiesterase 4 IC50 150000.0 nM 10.1021/jm00163a052
Homo sapiens Phosphodiesterase 4 Inhibition 24.0 % 10.1021/jm00163a052
Homo sapiens Phosphodiesterase 4 Inhibition 52.0 % 10.1021/jm00114a010
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 Phosphodiesterase; PDE3 & PDE4 IC50 4800.0 nM 10.1021/jm00388a014
Homo sapiens Phosphodiesterase; PDE3 & PDE4 PDE inhibition 24.0 None 10.1021/jm00385a001
Homo sapiens Phosphodiesterase; PDE3 & PDE4 PDE inhibition 56.0 None 10.1021/jm00385a001
Homo sapiens Phosphodiesterase; PDE3 & PDE4 PDE inhibition 57.0 None 10.1021/jm00385a001
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 316.2 nM None
Homo sapiens Progesterone receptor AC50 20000.0 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 Protein kinase C zeta Inhibition 50.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Rap guanine nucleotide exchange factor 3 Potency 100000.0 nM None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Regulator of G-protein signaling 4 Potency 44668.4 nM None
Homo sapiens Ribosomal protein S6 kinase alpha 1 Inhibition 27.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Ribosomal protein S6 kinase alpha 5 Inhibition 27.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Serine hydroxymethyltransferase, mitochondrial Inhibition 92.3 % None
Homo sapiens Serine/threonine-protein kinase AKT Inhibition 12.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Serine/threonine-protein kinase AKT2 Inhibition 0.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Serine/threonine-protein kinase Aurora-A Inhibition 0.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Serine/threonine-protein kinase Aurora-A Ki 393900.0 nM 10.1016/j.bmc.2018.04.033
Homo sapiens Serine/threonine-protein kinase Aurora-B Inhibition 43.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Serine/threonine-protein kinase Chk1 Inhibition 68.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Serine/threonine-protein kinase Chk2 Inhibition 0.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Serine/threonine-protein kinase D2 Inhibition 0.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Serine/threonine-protein kinase PLK1 Potency 29934.9 nM None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 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 Survival motor neuron protein Potency 35481.3 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 Thyroid hormone receptor beta-1 Potency 7943.3 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 14125.4 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 19952.6 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 31622.8 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase ABL Inhibition 11.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Inhibition 10.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase ITK/TSK Inhibition nan % 10.1021/jm101499u
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Inhibition 6.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosine-protein kinase Lyn Inhibition 18.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Tyrosine-protein kinase SRC Inhibition 12.0 % 10.1016/j.bmc.2018.04.033
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 16360.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 35481.3 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 39810.7 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 89125.1 nM None
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 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
Homo sapiens Vitamin D receptor Potency 19952.6 nM None
Leishmania amazonensis Leishmania amazonensis IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania donovani Leishmania donovani IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania infantum Leishmania infantum IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania major Leishmania major IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania mexicana Leishmania mexicana IC50 nan None 10.1016/j.bmc.2010.01.068
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 31622.8 nM None
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 nan None 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum Potency 13115.4 nM None
Pneumocystis carinii Pneumocystis carinii IC50 nan None 10.1016/j.bmc.2010.01.068
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Aorta EC50 17000.0 nM 10.1016/j.ejmech.2014.05.052
Rattus norvegicus Aorta EC50 28000.0 nM 10.1016/j.ejmech.2014.05.052
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 50118.7 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 79432.8 nM None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Schistosoma mansoni Thioredoxin glutathione reductase Potency 39810.7 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -11.61 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 13.44 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.2162 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 -39.64 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.27 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.08 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.1296 None 10.1101/2020.04.03.023846
Sus scrofa Malate dehydrogenase mitochondrial Inhibition 5.0 % 10.1021/jm030191r
Toxoplasma gondii Toxoplasma gondii IC50 nan None 10.1016/j.bmc.2010.01.068
Trichomonas vaginalis Trichomonas vaginalis IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei 6-phospho-1-fructokinase Potency 23934.1 nM None
Trypanosoma brucei Trypanosoma brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Putative uncharacterized protein Potency 50118.7 nM None
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma cruzi Trypanosoma cruzi IC50 nan None 10.1016/j.bmc.2010.01.068
None ADMET CL 8.9 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET delta logD -0.02 None 10.1021/jm0000564
None ADMET F 80.0 % 10.1021/jm0000564
None ADMET MRT 2.4 hr 10.1124/dmd.108.020479
None ADMET Papp 4.3 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 7.5 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 13.3 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 14.4 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 16.6 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 19.4 ucm/s 10.1124/dmd.110.034629
None ADMET Ratio -43.0 None 10.1124/dmd.110.034629
None ADMET Ratio -23.0 None 10.1124/dmd.110.034629
None ADMET Ratio 0.7 None 10.1124/dmd.110.034629
None ADMET Ratio 1.4 None 10.1124/dmd.110.034629
None ADMET Ratio 3.3 None 10.1124/dmd.110.034629
None ADMET Ratio 22.0 None 10.1124/dmd.110.034629
None ADMET Ratio 30.0 None 10.1124/dmd.110.034629
None ADMET Ratio 52.0 None 10.1124/dmd.110.034629
None ADMET Ratio 66.0 None 10.1124/dmd.110.034629
None ADMET T1/2 2.0 hr 10.1124/dmd.108.020479
None ADMET Vdss 1.3 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 2.2 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/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 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 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 2.2 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 6.6 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value 4.4 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET Fu 0.89 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 9.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 33.0 % 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 nan None 10.1016/j.bmc.2010.01.068
None No relevant target LogD -0.72 None 10.1021/jm0000564
None No relevant target LogP 2.66 None 10.1021/jm00069a005
None No relevant target pKa 5.2 None 10.1021/jm0000564
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Ac50 0.631 uM None
None Unchecked Ac50 0.8913 uM None
None Unchecked Ac50 2.818 uM None
None Unchecked Ac50 3.162 uM None
None Unchecked Ac50 5.012 uM None
None Unchecked AC50 631.0 nM None
None Unchecked AC50 891.3 nM None
None Unchecked AC50 2820.0 nM None
None Unchecked AC50 3162.3 nM None
None Unchecked AC50 5011.9 nM None
None Unchecked Activity 1.4 uM 10.1021/jm00011a018
None Unchecked Hepatotoxicity (acute) 6.0 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) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 50000.0 nM 10.1021/jm00122a011
None Unchecked IC50 nan None None
None Unchecked Inhibition 68.0 % 10.1016/j.bmc.2018.04.033
None Unchecked Ki nan None None
None Unchecked Potency 3981.1 nM None
None Unchecked Ratio 50.0 None 10.1021/jm00394a005
None Unchecked Ratio 63.8 None 10.1021/jm00394a005

Metabolism Information