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Loperamide

AlkaPlorer ID: AK049204

Synonym: None

IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

Structure

SMILES: CN(C)C(=O)C(CCN1CCC(O)(C2=CC=C(Cl)C=C2)CC1)(C1=CC=CC=C1)C1=CC=CC=C1

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InChI: InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3

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InChIKey: RDOIQAHITMMDAJ-UHFFFAOYSA-N

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Reference

PubChem CID: 3955

CAS: 34552-83-5

NPASS: NPC316906

COCONUT: CNP0342959.1

Properties Information

Molecule Weight: 477.0480000000002

TPSA？: 43.78

MolLogP？: 5.088000000000005

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Calmodulin IC50 12000.0 nM 10.1016/j.ejmech.2016.03.045
Bos taurus Calmodulin Kd 3500.0 nM 10.1016/j.ejmech.2016.03.045
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Cavia porcellus Cavia porcellus EC50 488.9 nM 10.1021/jm040867y
Cavia porcellus Cavia porcellus Efficacy 11.0 % 10.1021/jm040867y
Cavia porcellus Histamine H2 receptor K0.5 2000.0 nM 10.1021/jm980428x
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Mu opioid receptor EC50 58.0 nM 10.1021/jm030548r
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Chlorocebus sabaeus Vero CC50 29260.0 nM 10.1101/2020.03.20.999730
Chlorocebus sabaeus Vero C1008 CC50 22000.0 nM 10.6019/CHEMBL4651402
Chlorocebus sabaeus Vero C1008 CC50 33000.0 nM 10.6019/CHEMBL4495565
Chlorocebus sabaeus Vero C1008 pCC50 4.66 None 10.6019/CHEMBL4651402
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Acyl coenzyme A:cholesterol acyltransferase IC50 nan None 10.1016/j.ejmech.2018.01.030
Homo sapiens Acyl coenzyme A:cholesterol acyltransferase IC50 nan None 10.1021/acs.jnatprod.9b01155
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 29563.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 14151.4 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 20932.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens 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 39810.7 nM None
Homo sapiens Arachidonate 15-lipoxygenase Potency 15848.9 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 12589.3 nM None
Homo sapiens Arachidonate 15-lipoxygenase, type II Potency 25118.9 nM None
Homo sapiens Ataxin-2 Potency 14125.4 nM None
Homo sapiens Ataxin-2 Potency 19952.6 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 3262.9 nM None
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor IC50 3005.0 nM None
Homo sapiens Beta-2 adrenergic receptor Ki 2066.0 nM 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 67000.0 nM 10.1002/hep.27206
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 Activity 46.0 % 10.1021/jm7015683
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 Carboxylesterase 2 IC50 4060.0 nM 10.1016/j.ejmech.2018.01.030
Homo sapiens Carboxylesterase 2 IC50 4600.0 nM 10.1021/acs.jnatprod.9b01155
Homo sapiens Carboxylesterase 2 IC50 6800.0 nM 10.1016/j.ejmech.2020.112856
Homo sapiens Carboxylesterase 2 Ki 1500.0 nM 10.1016/j.ejmech.2020.112856
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 Cellular tumor antigen p53 Potency 19952.6 nM None
Homo sapiens Cellular tumor antigen p53 Potency 31622.8 nM None
Homo sapiens Cerebroside-sulfatase Potency 952.8 nM None
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 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 39810.72 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None 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 2D6 AC50 15.85 nM None
Homo sapiens Cytochrome P450 2D6 AC50 10000.0 nM None
Homo sapiens Cytochrome P450 2D6 AC50 25118.86 nM None
Homo sapiens Cytochrome P450 2D6 Activity nan None None
Homo sapiens Cytochrome P450 2D6 IC50 2000.0 nM None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2D6 Potency 15.8 nM None
Homo sapiens Cytochrome P450 2D6 Potency 10000.0 nM None
Homo sapiens Cytochrome P450 2D6 Potency 25118.9 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 nan None None
Homo sapiens Cytochrome P450 3A4 Activity nan None 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 5011.9 nM None
Homo sapiens Delta opioid receptor EC50 156.0 nM 10.1021/jm030548r
Homo sapiens Delta opioid receptor IC50 896.0 nM None
Homo sapiens Delta opioid receptor Ki 316.0 nM None
Homo sapiens Dopamine D1 receptor AC50 23055.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki 5790.0 nM 10.1021/acs.jmedchem.1c00611
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 4877.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 1337.0 nM None
Homo sapiens Dopamine D3 receptor Ki 454.0 nM None
Homo sapiens Dopamine D3 receptor Ki 1940.0 nM 10.1021/acs.jmedchem.1c00611
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki 1850.0 nM 10.1021/acs.jmedchem.1c00611
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 19465.7 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 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 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 26608.6 nM None
Homo sapiens Geminin Potency 36625.7 nM None
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens H4 Activity 78.7 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 95.7 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 115.39 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 122.1 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 123.62 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 125.21 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 126.76 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 139.19 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 235.49 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 339.4 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 666.5 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity nan None 10.1073/pnas.0709695104
Homo sapiens HEK293 Potency 4107.8 nM None
Homo sapiens HERG AC50 689.4 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 33.0 nM 10.1016/j.bmcl.2017.12.020
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Inhibition 20.0 % 10.1016/j.bmcl.2017.12.020
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor IC50 3081.0 nM None
Homo sapiens Histamine H2 receptor Ki 3030.0 nM None
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -10.91 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -2.16 % 10.6019/CHEMBL4808148
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Activity nan None 10.1002/hep.27206
Homo sapiens Homo sapiens Cmax 8.0 nM 10.1002/hep.27206
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fabs 40.0 % 10.1124/dmd.110.034629
Homo sapiens Huntingtin Potency 39810.7 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 IC50 3125.0 nM None
Homo sapiens Kappa opioid receptor Ki 1250.0 nM 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 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 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Menin IC50 69000.0 nM 10.1016/j.bmc.2017.11.045
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 12589.3 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 44668.4 nM None
Homo sapiens MES-SA Activity 1.58 None 10.1021/jm0491851
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 Mu opioid receptor AC50 3.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 1.445 nM None
Homo sapiens Mu opioid receptor Ki 0.268 nM 10.1021/acs.jmedchem.1c00611
Homo sapiens Mu opioid receptor Ki 0.53 nM 10.1016/j.bmcl.2004.08.032
Homo sapiens Mu opioid receptor Ki 0.586 nM None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 22303.3 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 18954.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None None
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Nociceptin receptor Activity 75.0 % 10.1016/j.bmcl.2004.08.032
Homo sapiens Nociceptin receptor Ki 10000.0 nM 10.1016/j.bmcl.2004.08.032
Homo sapiens Norepinephrine transporter AC50 19264.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 25929.0 nM None
Homo sapiens P-glycoprotein 1 Activity nan None 10.1023/a:1013358126640
Homo sapiens P-glycoprotein 1 Activity nan None 10.1038/nrd3028
Homo sapiens P-glycoprotein 1 Activity nan None 10.1172/jci118699
Homo sapiens P-glycoprotein 1 IC50 2500.0 nM 10.1097/00000542-200204000-00019
Homo sapiens P-glycoprotein 1 Inhibition 4.5 % 10.1021/ml200293c
Homo sapiens P-glycoprotein 1 Km 13800.0 nM 10.1023/a:1013358126640
Homo sapiens P-glycoprotein 1 % maximum response 76.3 % None
Homo sapiens P-glycoprotein 1 Papp 99.8 nm/s None
Homo sapiens P-glycoprotein 1 Papp 776.0 nm/s None
Homo sapiens P-glycoprotein 1 Ratio_ATPase activity 3.75 None None
Homo sapiens P-glycoprotein 1 Ratio_Papp 7.77 None None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Prelamin-A/C Potency 3548.1 nM None
Homo sapiens Prelamin-A/C Potency 11220.2 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Ras-related protein Rab-9A Potency 58047.9 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 Serine/threonine-protein kinase mTOR Activity nan None 10.1073/pnas.0709695104
Homo sapiens Serine/threonine-protein kinase mTOR Potency 13091.8 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 18492.7 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 8436.7 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 4105.0 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 2613.0 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 4775.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 2202.0 nM None
Homo sapiens Serotonin transporter Ki 1170.0 nM None
Homo sapiens SH-SY5Y Potency 17782.8 nM None
Homo sapiens Sigma opioid receptor IC50 628.0 nM None
Homo sapiens Sigma opioid receptor Ki 264.0 nM None
Homo sapiens SK-N-MC Activity nan None 10.1038/nchembio.79
Homo sapiens Sodium channel alpha subunits; brain (Types I, II, III) IC50 270.0 nM 10.1021/jm00381a019
Homo sapiens Sodium channel alpha subunits; brain (Types I, II, III) Inhibition 100.0 % 10.1021/jm00381a019
Homo sapiens Sodium channel protein type V alpha subunit IC50 239.0 nM 10.1016/j.bmcl.2017.12.020
Homo sapiens Solute carrier family 22 member 1 IC50 23700.0 nM 10.1021/jm8003152
Homo sapiens Solute carrier family 22 member 1 Inhibition 73.4 % 10.1021/jm8003152
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 32.5 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 32.4 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 19.6 % 10.1021/jm300212s
Homo sapiens Survival motor neuron protein Potency 28183.8 nM None
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thrombopoietin Potency 12589.3 nM None
Homo sapiens Thromboxane A2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 28929.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Thyroid stimulating hormone receptor Potency 1258.9 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 39810.7 nM None
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosine-protein kinase TIE-2 Activity nan None 10.1016/j.bmcl.2012.02.036
Homo sapiens Tyrosine-protein kinase TIE-2 Kd 5900.0 nM 10.1016/j.bmcl.2012.02.036
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 6683.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 8414.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 9726.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23715.0 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 5011.9 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1 Inhibition 17.0 % 10.1016/j.bmcl.2017.12.020
Homo sapiens Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1 Inhibition 65.0 % 10.1016/j.bmcl.2017.12.020
Homo sapiens Whole blood Retention_time 6.37 min 10.1007/s00044-012-9977-1
Human coronavirus 229E Human coronavirus 229E EC50 4000.0 nM 10.1016/j.ejmech.2020.112275
Middle East respiratory syndrome-related coronavirus Middle East respiratory syndrome-related coronavirus EC50 4800.0 nM 10.1016/j.ejmech.2020.112275
Mus musculus Intestine Drug uptake 50.0 uM 10.1124/dmd.112.049965
Mus musculus Intestine Drug uptake 100.0 uM 10.1124/dmd.112.049965
Mus musculus Intestine Drug uptake 200.0 uM 10.1124/dmd.112.049965
Mus musculus Intestine Papp 0.61 nm/s 10.1124/dmd.112.049965
Mus musculus Intestine Papp 5.5 nm/s 10.1124/dmd.112.049965
Mus musculus Intestine Ratio AUC 3.1 None 10.1124/dmd.110.034629
Mus musculus Mus musculus AUC 0.5167 ng.hr.mL-1 10.1124/dmd.112.049965
Mus musculus Mus musculus AUC 0.9333 ng.hr.mL-1 10.1124/dmd.112.049965
Mus musculus Mus musculus AUC 1.033 ng.hr.mL-1 10.1124/dmd.112.049965
Mus musculus Mus musculus AUC 1.5 ng.hr.mL-1 10.1124/dmd.112.049965
Mus musculus Mus musculus AUC 4.333 ng.hr.mL-1 10.1124/dmd.112.049965
Mus musculus Mus musculus AUC 4.433 ng.hr.mL-1 10.1124/dmd.112.049965
Mus musculus Mus musculus AUC 4.483 ng.hr.mL-1 10.1124/dmd.112.049965
Mus musculus Mus musculus AUC 7.0 ng.hr.mL-1 10.1124/dmd.112.049965
Mus musculus Mus musculus AUC 81.67 ng.hr.mL-1 10.1124/dmd.112.049965
Mus musculus Mus musculus AUC 95.0 ng.hr.mL-1 10.1124/dmd.112.049965
Mus musculus Mus musculus Fg 0.4 % 10.1124/dmd.112.049965
Mus musculus Mus musculus Fg 1.1 % 10.1124/dmd.112.049965
Mus musculus Mus musculus Fg 1.7 % 10.1124/dmd.112.049965
Mus musculus Mus musculus Fg 2.6 % 10.1124/dmd.112.049965
Mus musculus Mus musculus Fg 3.6 % 10.1124/dmd.112.049965
Mus musculus Mus musculus Fg 16.0 % 10.1124/dmd.112.049965
Mus musculus Mus musculus Fg 17.0 % 10.1124/dmd.112.049965
Mus musculus Mus musculus Fg 28.0 % 10.1124/dmd.112.049965
Mus musculus Mus musculus Permeability nan None 10.1021/jm990968+
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Nuclear receptor ROR-gamma Potency 3981.1 nM None
Mus musculus P-glycoprotein 3 Activity nan None 10.1172/jci118699
Mus musculus Plasma Ratio AUC 2.0 None 10.1124/dmd.110.034629
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 Chloroquine resistance transporter Ratio IC50 0.64 None 10.1016/j.ejmech.2016.04.058
Plasmodium falciparum Chloroquine resistance transporter Ratio IC50 0.75 None 10.1016/j.ejmech.2016.04.058
Plasmodium falciparum Chloroquine resistance transporter Ratio IC50 0.79 None 10.1016/j.ejmech.2016.04.058
Plasmodium falciparum Chloroquine resistance transporter Ratio IC50 0.82 None 10.1016/j.ejmech.2016.04.058
Plasmodium falciparum Plasmodium falciparum Activity nan None 10.1016/j.ejmech.2016.04.058
Plasmodium falciparum Plasmodium falciparum Potency 2393.4 nM None
Plasmodium falciparum Plasmodium falciparum Ratio IC50 1.04 None 10.1016/j.ejmech.2016.04.058
Plasmodium falciparum Plasmodium falciparum Ratio IC50 1.08 None 10.1016/j.ejmech.2016.04.058
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 6219.0 nM None
Rattus norvegicus Alpha-1a adrenergic receptor Ki 2517.0 nM None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 965.0 nM None
Rattus norvegicus Alpha-1b adrenergic receptor Ki 534.0 nM None
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Brain Compound recovery nan None 10.1124/dmd.110.035998
Rattus norvegicus Brain Fu 0.008 None 10.1124/dmd.110.035998
Rattus norvegicus Brain Kp 2.95 None 10.1124/dmd.110.035998
Rattus norvegicus Brain Vd 370.0 L.kg-1 10.1124/dmd.110.035998
Rattus norvegicus Brain Vdu 370.0 ml 10.1021/jm901036q
Rattus norvegicus Delta opioid receptor Ki 50.1 nM 10.1021/jm030548r
Rattus norvegicus GABA receptor alpha-1 subunit 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 3162.3 nM None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Liver IC50 nan None 10.1002/hep.27206
Rattus norvegicus Mu opioid receptor Ki 0.16 nM 10.1021/jm030548r
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 15848.9 nM None
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 19952.6 nM None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Nociceptin receptor Activity nan None 10.1016/j.bmcl.2004.08.032
Rattus norvegicus Opioid receptors; mu & delta Selectivity 0.003 None 10.1021/jm030548r
Rattus norvegicus PC-12 Activity nan None 10.1038/nchembio.79
Rattus norvegicus Peripheral myelin protein 22 Potency 14381.8 nM None
Rattus norvegicus Plasma Cp(f) 0.054 uM 10.1021/jm901036q
Rattus norvegicus Plasma Fu 0.06 None 10.1021/jm901036q
Rattus norvegicus Plasma K(p,uu,CSF) 0.037 None 10.1021/jm901036q
Rattus norvegicus Rattus norvegicus Activity nan None 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus ALB 39000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 44000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 286.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 337.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 365.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 376.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 426.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 449.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 54.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 55.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 58.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 64.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 75.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 93.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 86.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 86.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 88.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 91.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 94.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 112.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AUC 122.0 ng.hr.mL-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus AUC 131.0 ng.hr.mL-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus AUC 161.0 ng.hr.mL-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus AUC 184.0 ng.hr.mL-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus AUC 243.0 ng.hr.mL-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus AUC 651.0 ng.hr.mL-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus AUC 806.0 ng.hr.mL-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus AUC 980.0 ng.hr.mL-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus AUC 1020.0 ng.hr.mL-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 136.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 160.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 170.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 173.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 580.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 676.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 680.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 713.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 833.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 208.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 233.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 331.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 336.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 628.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 1325.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CL 75.0 mL.min-1.kg-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus CL 110.0 mL.min-1.kg-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus CL 128.33 mL.min-1.kg-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus CL 166.67 mL.min-1.kg-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus Cmax 125.77 nM 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus Cmax 144.64 nM 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus Cmax 188.66 nM 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus Cmax 473.74 nM 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus CO2 27000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 28330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 29500000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 30670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 33000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.9 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 31.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 41.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 138.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 192.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus F 16.0 % 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus F 34.0 % 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus F 40.0 % 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus F 60.0 % 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus GLUC 1403.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1443.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1626.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1680.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1715.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1778.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.57 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.8 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.1 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.23 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.45 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Heart rate 278.0 beats min-1 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus Heart rate 290.0 beats min-1 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus Heart rate 324.0 beats min-1 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus Heart rate 360.0 beats min-1 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus HGB 136300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 136700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 138000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 138200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 140300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 141300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Inhibition 77.0 % 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus Inhibition 96.0 % 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus Inhibition 97.0 % 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus Inhibition 98.0 % 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus Inhibition 99.0 % 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus Inhibition 100.0 % 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus LDH 118.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 157.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 198.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 285.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 386.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 500.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 7.67 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 9.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 6903.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 10763.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11205.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12191.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13020.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13283.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.93 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.6 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.63 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.68 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 26.63 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 384700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 389800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 400000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 401300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 403500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 411000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.3 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.67 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.87 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.42 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.7 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 66.47 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 32.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 102.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 106.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 116.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 183.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 303.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.33 % 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 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 859.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1129.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1178.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1192.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1308.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1651.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 107.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 113.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 115.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 119.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 123.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 125.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1068000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1097500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1118170.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1302000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1353000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1406330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 4.92 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.63 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.72 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.21 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.22 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.47 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 55000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 57500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5190000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5320000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5350000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5510000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5520000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5640000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.65 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.8 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.03 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.77 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.27 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Systolic blood pressure 117.0 mmHg 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus Systolic blood pressure 119.0 mmHg 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus Systolic blood pressure 124.0 mmHg 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus Systolic blood pressure 125.0 mmHg 10.1021/jm00149a013
Rattus norvegicus Rattus norvegicus T1/2 1.0 hr 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus T1/2 1.1 hr 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus T1/2 1.5 hr 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus T1/2 13.0 hr 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus T1/2 15.0 hr 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tmax 0.3 hr 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus Tmax 0.4 hr 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus Tmax 0.7 hr 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus Tmax 0.8 hr 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus URATE 8.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 12.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 12.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Vdss 7.9 L.kg-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus Vdss 9.0 L.kg-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus Vdss 11.5 L.kg-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus Vdss 21.2 L.kg-1 10.1124/dmd.112.046508
Rattus norvegicus Rattus norvegicus WBC 7900.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12100.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12370.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13570.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14970.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15030.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 23109.3 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 17.59 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score -0.01176 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 8910.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 8912.51 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 9270.0 nM 10.1101/2020.03.20.999730
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 11748.98 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 11800.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 17160.0 nM 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 89.59 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome-related coronavirus SARS-CoV EC50 5900.0 nM 10.1016/j.ejmech.2020.112275
Staphylococcus aureus Quinolone resistance protein norA Inhibition 77.7 % 10.1021/ml200293c
Staphylococcus aureus Staphylococcus aureus MIC 100.0 ug.mL-1 10.1021/ml200293c
Sus scrofa LLC-PK1 Ratio 3.8 None 10.1021/ml300314h
Trypanosoma cruzi Trypanosoma cruzi EC50 3000.0 nM 10.1128/aac.01777-09
None ADMET Biotransformation nan None 10.1038/s41586-019-1291-3
None ADMET BPR 0.15 None 10.1021/jm901036q
None ADMET CL 13.8 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET CL 45.71 mL.min-1.g-1 10.6019/CHEMBL3301361
None ADMET CL 91.2 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET Cp 74.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Cp 76.0 ng/ml 10.1016/j.bmcl.2017.12.020
None ADMET Cp(f) 6.3 nM 10.1016/j.bmcl.2017.12.020
None ADMET Ct 1.3 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 130.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 170.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 390.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 590.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET EC50 12000.0 nM 10.1128/aac.01777-09
None ADMET Fu 0.000644 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.0022 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.00264 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.00591 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.00677 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.0462 None 10.1016/j.ejmech.2019.111813
None ADMET Km 4500.0 nM 10.1124/dmd.112.049965
None ADMET Km 22000.0 nM 10.1124/dmd.112.049965
None ADMET K(p,uu,brain) 0.002 None 10.1016/j.ejmech.2019.111813
None ADMET K(p,uu,brain) 0.007 None 10.1021/jm901036q
None ADMET K(p,uu,brain) 0.059 None 10.1016/j.ejmech.2019.111813
None ADMET Papp 1.6 10^-6 cm/s None
None ADMET Papp 2.7 10'-6 cm/s 10.1016/j.ejmech.2019.111813
None ADMET Papp 4.5 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 5.8 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 7.6 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 8.4 10^-6 cm/s None
None ADMET Papp 10.0 ucm/s 10.1124/dmd.110.034629
None ADMET PPB 92.64 % 10.6019/CHEMBL3301361
None ADMET PPB 94.56 % 10.6019/CHEMBL3301361
None ADMET PPB 95.0 % 10.1016/j.bmcl.2017.12.020
None ADMET PPB 96.42 % 10.6019/CHEMBL3301361
None ADMET Ratio 0.1 None 10.1016/j.ejmech.2019.111813
None ADMET Ratio 0.11 None 10.1016/j.ejmech.2019.111813
None ADMET Ratio 0.5 None 10.1124/dmd.110.034629
None ADMET Ratio 0.79 None 10.1016/j.ejmech.2019.111813
None ADMET Ratio 1.3 None 10.1124/dmd.110.034629
None ADMET Ratio 5.2 None None
None ADMET Ratio 40.0 None 10.1124/dmd.110.034629
None ADMET Ratio 66.0 None 10.1124/dmd.110.034629
None ADMET Ratio 73.0 None 10.1124/dmd.110.034629
None ADMET Selectivity index 1.92 None 10.6019/CHEMBL4495565
None ADMET Selectivity index 3.16 None 10.1101/2020.03.20.999730
None ADMET Vmax 30.0 pmol/min 10.1124/dmd.112.049965
None ADMET Vmax 31.0 pmol/min 10.1124/dmd.112.049965
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None NON-PROTEIN TARGET Fu 0.35 None 10.1021/jm401963n
None No relevant target LogD7.4 3.47 None 10.6019/CHEMBL3301361
None No relevant target Log Kmemb 1.8 None 10.1021/jm0309001
None No relevant target Peff 12.49 ucm/s 10.1016/j.ejmech.2016.04.058
None No relevant target Peff 15.99 ucm/s 10.1016/j.ejmech.2016.04.058
None No relevant target pKa 8.71 None 10.1016/j.ejmech.2016.03.045
None No relevant target pKa 9.0 None 10.1124/dmd.110.035998
None No relevant target pKa_B1 9.14 None 10.6019/CHEMBL3301361
None No relevant target Solubility 0.04 ug.mL-1 10.1016/j.bmc.2010.08.003
None No relevant target Solubility 410.0 ug.mL-1 10.1016/j.ejmech.2016.04.058
None No relevant target Solubility 5600.0 nM 10.6019/CHEMBL3301361
None Unchecked Ac50 2.512 uM None
None Unchecked Ac50 3.162 uM None
None Unchecked Ac50 10.0 uM None
None Unchecked Ac50 11.22 uM None
None Unchecked Ac50 39.81 uM None
None Unchecked AC50 2511.9 nM None
None Unchecked AC50 3162.3 nM None
None Unchecked AC50 10000.0 nM None
None Unchecked AC50 11220.2 nM None
None Unchecked AC50 11230.0 nM None
None Unchecked AC50 39810.7 nM None
None Unchecked Activity 87.64 % 10.1016/j.ejmech.2016.04.058
None Unchecked EC50 685.0 nM 10.1016/j.ejmech.2016.04.058
None Unchecked IC50 93.0 nM None
None Unchecked IC50 221.0 nM None
None Unchecked IC50 589.0 nM None
None Unchecked IC50 1379.0 nM None
None Unchecked IC50 nan None None
None Unchecked Ki 85.0 nM None
None Unchecked Ki 196.0 nM None
None Unchecked Ki 573.0 nM None
None Unchecked Ki 848.0 nM None
None Unchecked Ki nan None None
None Unchecked logIC50 -0.56 None 10.1016/j.bmc.2013.11.049
None Unchecked Potency 1258.9 nM None
None Unchecked Potency 4107.8 nM None
None Unchecked Potency 6309.6 nM None
None Unchecked Potency 8912.5 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 11220.2 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 15848.9 nM None
None Unchecked Potency 20596.2 nM None
None Unchecked Potency 25118.9 nM None
None Unchecked Potency 28695.4 nM None
None Unchecked Potency 29092.9 nM None
None Unchecked Potency 31622.8 nM None
None Unchecked Ratio EC50 4.0 None 10.1128/aac.01777-09
None Unchecked Ratio IC50 0.59 None 10.1016/j.ejmech.2016.04.058
None Unchecked Ratio IC50 0.74 None 10.1016/j.ejmech.2016.04.058
None Unchecked Ratio IC50 3.4 None 10.1016/j.ejmech.2016.04.058
None Unchecked Ratio IC50 14.0 None 10.1016/j.ejmech.2016.04.058

Metabolism Information