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name Structure Reference Source Properties Activities Metabolism

Tamsulosin

AlkaPlorer ID: AK069379

Synonym: None

IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide

Structure

SMILES: CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC=C(OC)C(S(N)(=O)=O)=C1

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InChI: InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1

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InChIKey: DRHKJLXJIQTDTD-OAHLLOKOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Piper nigrum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 408.5200000000001

TPSA？: 99.88

MolLogP？: 2.3409000000000004

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Alpha-1a adrenergic receptor Ki 0.1259 nM 10.1021/jm970166j
Canis lupus familiaris Canis familiaris ID50 0.001 mg.kg-1 10.1021/jm960697s
Canis lupus familiaris Canis familiaris ID50 0.002 mg.kg-1 10.1021/jm960697s
Canis lupus familiaris Canis familiaris IUP 8.87 None 10.1021/jm990567u
Canis lupus familiaris Canis familiaris Kd 0.2884 nM 10.1021/jm990567u
Canis lupus familiaris Canis familiaris Kd 1.349 nM 10.1021/jm000541z
Canis lupus familiaris Canis familiaris Kd 1.349 nM 10.1021/jm970364a
Cavia porcellus Histamine H1 receptor Inhibition 7.0 % 10.1021/jm9905918
Cavia porcellus Histamine H1 receptor Inhibition 18.0 % 10.1021/jm9905918
Cavia porcellus Histamine H1 receptor Ki nan None 10.1021/jm9905918
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adrenergic receptor alpha-1 Kd 0.03981 nM 10.1021/jm970166j
Homo sapiens Adrenergic receptor alpha-1 Kd 0.1585 nM 10.1021/jm960697s
Homo sapiens Adrenergic receptor alpha-1 Kd 6.31 nM 10.1021/jm960697s
Homo sapiens Adrenergic receptors; alpha-1 A & B Ratio 1.4 None 10.1021/jm9905918
Homo sapiens Adrenergic receptors; alpha-1 A & B Ratio 14.8 None 10.1021/jm9905918
Homo sapiens Alpha-1a adrenergic receptor AC50 1.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor EC50 0.07 nM 10.1016/j.bmc.2016.09.017
Homo sapiens Alpha-1a adrenergic receptor FC 1.6 None 10.1016/j.ejmech.2017.03.036
Homo sapiens Alpha-1a adrenergic receptor FC 1.6 None 10.1039/C6MD00426A
Homo sapiens Alpha-1a adrenergic receptor IC50 0.32 nM 10.1016/j.ejmech.2020.112616
Homo sapiens Alpha-1a adrenergic receptor IC50 2.2 nM 10.1021/acs.jmedchem.6b01217
Homo sapiens Alpha-1a adrenergic receptor Inhibition 100.0 % 10.1021/acs.jmedchem.6b01217
Homo sapiens Alpha-1a adrenergic receptor Kd 0.2884 nM 10.1021/jm000541z
Homo sapiens Alpha-1a adrenergic receptor Kd 0.2884 nM 10.1021/jm970364a
Homo sapiens Alpha-1a adrenergic receptor Ki 0.029 nM 10.1021/jm970364a
Homo sapiens Alpha-1a adrenergic receptor Ki 0.05012 nM 10.1016/j.ejmech.2010.09.042
Homo sapiens Alpha-1a adrenergic receptor Ki 0.13 nM 10.1021/jm9905918
Homo sapiens Alpha-1a adrenergic receptor Ki 0.19 nM 10.1016/j.bmcl.2007.04.008
Homo sapiens Alpha-1a adrenergic receptor Ki 0.19 nM 10.1016/j.bmcl.2007.04.098
Homo sapiens Alpha-1a adrenergic receptor Ki 0.19 nM 10.1016/j.bmcl.2007.11.068
Homo sapiens Alpha-1a adrenergic receptor Ki 0.1995 nM 10.1021/jm960697s
Homo sapiens Alpha-1a adrenergic receptor Ki 0.2 nM 10.1016/j.bmcl.2004.11.032
Homo sapiens Alpha-1a adrenergic receptor Ki 3.981 nM 10.1021/jm960697s
Homo sapiens Alpha-1a adrenergic receptor Ratio 1.0 None 10.1021/jm9905918
Homo sapiens Alpha-1b adrenergic receptor EC50 0.13 nM 10.1016/j.bmc.2016.09.017
Homo sapiens Alpha-1b adrenergic receptor IC50 4.2 nM 10.1016/j.ejmech.2020.112616
Homo sapiens Alpha-1b adrenergic receptor IC50 4.8 nM 10.1021/acs.jmedchem.6b01217
Homo sapiens Alpha-1b adrenergic receptor Ki 0.61 nM 10.1021/jm970364a
Homo sapiens Alpha-1b adrenergic receptor Ki 0.631 nM 10.1016/j.ejmech.2010.09.042
Homo sapiens Alpha-1b adrenergic receptor Ki 1.259 nM 10.1021/jm960697s
Homo sapiens Alpha-1b adrenergic receptor Ki 1.92 nM 10.1021/jm9905918
Homo sapiens Alpha-1b adrenergic receptor Ki 2.0 nM 10.1016/j.bmcl.2007.04.008
Homo sapiens Alpha-1b adrenergic receptor Ki 2.0 nM 10.1016/j.bmcl.2007.04.098
Homo sapiens Alpha-1b adrenergic receptor Ki 2.0 nM 10.1016/j.bmcl.2007.11.068
Homo sapiens Alpha-1b adrenergic receptor Ki 100.0 nM 10.1021/jm960697s
Homo sapiens Alpha-1d adrenergic receptor IC50 0.15 nM 10.1016/j.ejmech.2020.112616
Homo sapiens Alpha-1d adrenergic receptor IC50 1.4 nM 10.1021/acs.jmedchem.6b01217
Homo sapiens Alpha-1d adrenergic receptor Ki 0.058 nM 10.1021/jm970364a
Homo sapiens Alpha-1d adrenergic receptor Ki 0.1 nM 10.1016/j.ejmech.2010.09.042
Homo sapiens Alpha-1d adrenergic receptor Ki 0.1585 nM 10.1021/jm960697s
Homo sapiens Alpha-1d adrenergic receptor Ki 0.18 nM 10.1021/acs.jmedchem.5b01528
Homo sapiens Alpha-1d adrenergic receptor Ki 0.18 nM 10.1021/jm9905918
Homo sapiens Alpha-1d adrenergic receptor Ki 0.2 nM 10.1016/j.bmcl.2007.04.008
Homo sapiens Alpha-1d adrenergic receptor Ki 0.2 nM 10.1016/j.bmcl.2007.04.098
Homo sapiens Alpha-1d adrenergic receptor Ki 0.2 nM 10.1016/j.bmcl.2007.11.068
Homo sapiens Alpha-1d adrenergic receptor Ki 7.943 nM 10.1021/jm960697s
Homo sapiens Alpha-2a adrenergic receptor AC50 790.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 4774.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor Inhibition 82.0 % 10.1021/jm9905918
Homo sapiens Alpha-2a adrenergic receptor Ki 13.4 nM 10.1021/jm970364a
Homo sapiens Alpha-2a adrenergic receptor Ki 63.0 nM 10.1021/jm9905918
Homo sapiens Alpha-2a adrenergic receptor Ratio 490.0 None 10.1021/jm9905918
Homo sapiens Alpha-2b adrenergic receptor AC50 1900.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor Ratio 620.0 None 10.1021/jm9905918
Homo sapiens Alpha-2c adrenergic receptor AC50 300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor Inhibition 41.0 % 10.1021/jm9905918
Homo sapiens Alpha-2c adrenergic receptor Ki 7.9 nM 10.1021/jm970364a
Homo sapiens Beta-1 adrenergic receptor AC50 2500.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 2200.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump AC50 300000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 2C9 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 FC 6.7 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 3A4 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 100.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor Inhibition 53.0 % 10.1021/jm9905918
Homo sapiens Dopamine D2 receptor Inhibition 73.0 % 10.1021/jm9905918
Homo sapiens Dopamine D2 receptor Ki 13.0 nM 10.1021/jm9905918
Homo sapiens Dopamine D2 receptor Ki 78.0 nM 10.1021/jm9905918
Homo sapiens Dopamine D2 receptor Ratio 100.0 None 10.1021/jm9905918
Homo sapiens Dopamine D2 receptor Ratio 600.0 None 10.1021/jm9905918
Homo sapiens Dopamine D3 receptor AC50 3.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor Inhibition 109.0 % 10.1021/jm9905918
Homo sapiens Dopamine D3 receptor Ki 0.28 nM 10.1021/jm9905918
Homo sapiens Dopamine D3 receptor Ratio 2.2 None 10.1021/jm9905918
Homo sapiens Dopamine D4 receptor Inhibition 21.0 % 10.1021/jm9905918
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 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 HERG AC50 6945.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor Selectivity ratio nan None 10.1021/jm9905918
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -11.24 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -5.59 % 10.6019/CHEMBL4808148
Homo sapiens Homo sapiens CL 0.5 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 0.62 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 0.62 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.08 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.1 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fa 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 1.02 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.98 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 0.21 L.kg-1 10.1021/jm901371v
Homo sapiens Kappa opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 3800.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 5300.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens 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 Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Plasma Fu 0.01 None 10.1039/C4MD00148F
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 20.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor Inhibition 115.0 % 10.1021/jm9905918
Homo sapiens Serotonin 1a (5-HT1a) receptor Ki 0.79 nM 10.1021/jm9905918
Homo sapiens Serotonin 1a (5-HT1a) receptor Ratio 6.1 None 10.1021/jm9905918
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 14402.2 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 2b (5-HT2b) receptor AC50 6400.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 7 (5-HT7) receptor Inhibition 74.0 % 10.1021/jm9905918
Homo sapiens Serotonin 7 (5-HT7) receptor Ki 84.0 nM 10.1021/jm9905918
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Mesocricetus auratus Alpha-1b adrenergic receptor Ki 0.2 nM 10.1021/jm990567u
Mus musculus Alpha-1 adrenergic receptor IC50 1.8 nM 10.1016/j.ejmech.2017.06.011
Oryctolagus cuniculus Alpha-1a adrenergic receptor Kd 0.1585 nM 10.1021/jm970166j
Rattus norvegicus Alpha-1a adrenergic receptor Kd 0.3388 nM 10.1021/jm000541z
Rattus norvegicus Alpha-1a adrenergic receptor Kd 0.3388 nM 10.1021/jm970364a
Rattus norvegicus Alpha-1a adrenergic receptor Ki 0.03 nM 10.1021/jm990567u
Rattus norvegicus Alpha-1a adrenergic receptor Ki 0.13 nM 10.1016/j.ejmech.2011.04.032
Rattus norvegicus Alpha-1a adrenergic receptor pKb 9.46 None 10.1016/j.ejmech.2010.09.042
Rattus norvegicus Alpha-1b adrenergic receptor Kd 0.2042 nM 10.1021/jm000541z
Rattus norvegicus Alpha-1b adrenergic receptor Kd 0.2042 nM 10.1021/jm970364a
Rattus norvegicus Alpha-1b adrenergic receptor pKb 9.3 None 10.1016/j.ejmech.2010.09.042
Rattus norvegicus Alpha-1d adrenergic receptor Kd 0.02512 nM 10.1021/jm970364a
Rattus norvegicus Alpha-1d adrenergic receptor Ki 0.07 nM 10.1021/jm990567u
Rattus norvegicus Alpha-1d adrenergic receptor pKb 10.0 None 10.1016/j.ejmech.2010.09.042
Rattus norvegicus Alpha-2b adrenergic receptor Inhibition 86.0 % 10.1021/jm9905918
Rattus norvegicus Alpha-2b adrenergic receptor Ki 6.8 nM 10.1021/jm970364a
Rattus norvegicus Alpha-2b adrenergic receptor Ki 80.0 nM 10.1021/jm9905918
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Peripheral myelin protein 22 Potency 36125.4 nM None
Rattus norvegicus Plasma Fu 0.01 None 10.1021/jm901371v
Rattus norvegicus Plasma Fu 0.2 None 10.1039/C4MD00148F
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmc.2016.09.017
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acsmedchemlett.6b00225
Rattus norvegicus Rattus norvegicus AD50 3.0 ug kg-1 10.1016/s0960-894x(99)00696-4
Rattus norvegicus Rattus norvegicus AD50 3.0 ug kg-1 10.1021/jm990612y
Rattus norvegicus Rattus norvegicus Duration 3.5 hr 10.1021/jm990612y
Rattus norvegicus Rattus norvegicus Inhibition 11.0 % 10.1016/j.bmc.2016.09.017
Rattus norvegicus Rattus norvegicus Kd 0.2042 nM 10.1021/jm990567u
Rattus norvegicus Rattus norvegicus Kd 0.3388 nM 10.1021/jm990567u
Rattus norvegicus Rattus norvegicus pED50 7.33 None 10.1021/jm000541z
Rattus norvegicus Rattus norvegicus pED50 7.33 None 10.1021/jm970364a
Rattus norvegicus Rattus norvegicus pKB 9.33 None 10.1021/jm9905918
Rattus norvegicus Rattus norvegicus pKB 10.76 None 10.1021/jm9905918
Rattus norvegicus Rattus norvegicus SHR 7.33 None 10.1021/jm990567u
Rattus norvegicus Serotonin 1 (5-HT1) receptor Inhibition 62.0 % 10.1021/jm9905918
Rattus norvegicus Serotonin 1 (5-HT1) receptor Ki 944.0 nM 10.1021/jm9905918
Rattus norvegicus Voltage-gated L-type calcium channel Inhibition 20.0 % 10.1021/jm9905918
Rattus norvegicus Voltage-gated L-type calcium channel Inhibition 22.0 % 10.1021/jm9905918
Rattus norvegicus Voltage-gated L-type calcium channel Ki nan nM 10.1021/jm9905918
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 22.04 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1193 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.07 % 10.6019/CHEMBL4495565
None ADMET CL 0.62 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET MRT 5.6 hr 10.1124/dmd.108.020479
None ADMET Ratio EC50 1.93 None 10.1016/j.bmc.2016.09.017
None ADMET T1/2 6.8 hr 10.1124/dmd.108.020479
None ADMET Vdss 0.21 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LTKB_BD DILI severity score nan None 10.1016/j.drudis.2011.05.007
None NON-PROTEIN TARGET Fu 0.01 None 10.1124/dmd.108.020479
None Unchecked Inhibition 64.0 % 10.1021/jm9905918
None Unchecked Ki 0.0001 nM 10.1016/j.ejmech.2010.09.042
None Unchecked Ki 1000.0 nM 10.1016/j.ejmech.2010.09.042
None Unchecked Ki 10000000.0 nM 10.1016/j.ejmech.2010.09.042
None Unchecked Ratio 0.5 None 10.1021/jm960697s
None Unchecked Ratio 0.6 None 10.1021/jm000541z
None Unchecked Ratio 26.9 None 10.1021/jm9905918
None Unchecked Ratio 35.0 None 10.1021/jm000541z
None Unchecked Ratio 650.0 None 10.1021/jm9905918
None Unchecked Ratio 7260.0 None 10.1021/jm9905918
None Unchecked Ratio nan None 10.1021/jm9905918
None Unchecked Ratio IC50 0.6 None 10.1021/acs.jmedchem.6b01217
None Unchecked Ratio IC50 2.2 None 10.1021/acs.jmedchem.6b01217
None Unchecked Ratio Ki 0.7 None 10.1021/acs.jmedchem.5b01528
None Unchecked Ratio Ki 11.0 None 10.1021/acs.jmedchem.5b01528
None Unchecked Ratio Ki 14.8 None 10.1016/j.ejmech.2011.04.032
None Unchecked Selectivity ratio 0.3 None 10.1016/j.ejmech.2010.09.042
None Unchecked Selectivity ratio 1.5 None 10.1016/j.ejmech.2010.09.042
None Unchecked Selectivity ratio 5.0 None 10.1016/j.ejmech.2010.09.042

Metabolism Information