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name Structure Reference Source Properties Activities Metabolism

Tegaserod

AlkaPlorer ID: AK322549

Synonym: None

IUPAC Name: 1-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine

Structure

SMILES: CCCCCNC(=N)N/N=C/C1=CNC2=CC=C(OC)C=C12

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InChI: InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+

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InChIKey: IKBKZGMPCYNSLU-RGVLZGJSSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Geodia barretti Geodia Geodiidae Tetractinellida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 301.3940000000001

TPSA？: 85.29

MolLogP？: 2.8145700000000007

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cavia porcellus Cavia porcellus Activity nan None 10.1016/j.bmcl.2012.05.034
Cavia porcellus Serotonin 4 (5-HT4) receptor Activity 6.9 pD2 10.1021/jm020099f
Cavia porcellus Serotonin 4 (5-HT4) receptor EC50 6.31 nM 10.1016/j.bmcl.2012.05.034
Cavia porcellus Serotonin 4 (5-HT4) receptor EC50 6.31 nM 10.1016/j.bmcl.2012.08.051
Cavia porcellus Serotonin 4 (5-HT4) receptor EC50 12.59 nM 10.1016/j.bmcl.2013.05.018
Cavia porcellus Serotonin 4 (5-HT4) receptor Intrinsic activity 45.0 % 10.1016/j.bmcl.2013.05.018
Cavia porcellus Serotonin 4 (5-HT4) receptor Intrinsic activity 65.0 % 10.1016/j.bmcl.2012.05.034
Cavia porcellus Serotonin 4 (5-HT4) receptor Intrinsic activity 65.0 % 10.1016/j.bmcl.2012.08.051
Cavia porcellus Serotonin 4 (5-HT4) receptor pD2 6.9 None 10.1021/jm00013a010
Cavia porcellus Serotonin 4 (5-HT4) receptor Relative efficacy 0.2 None 10.1021/jm00013a010
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 15274.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 266.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 1160.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 2045.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 2100.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 3000.0 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-2a adrenergic receptor AC50 310.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 920.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 5647.5 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-2b adrenergic receptor AC50 3368.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 771.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor AC50 7018.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 7361.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-3 adrenergic receptor AC50 6079.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Caco-2 Kp 11.0 ucm/s 10.1016/j.bmcl.2012.05.034
Homo sapiens Caco-2 Kp 11.0 ucm/s 10.1016/j.bmcl.2012.08.051
Homo sapiens Caco-2 Kp 11.0 ucm/s 10.1016/j.bmcl.2013.05.018
Homo sapiens Caco-2 permeability 11.0 10'-6 cm/s 10.1021/jm900881j
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 Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 2650.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 20449.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 AC50 15134.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 340.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 730.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 941.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 3100.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 3500.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 5620.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D4 receptor AC50 656.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 1850.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 6782.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-B 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 Estrogen receptor beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens GABA-B receptor 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ghrelin receptor AC50 11360.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 4800.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG Inhibition 33.0 % 10.1016/j.bmcl.2012.05.034
Homo sapiens HERG Inhibition 33.0 % 10.1016/j.bmcl.2012.08.051
Homo sapiens HERG Inhibition 33.0 % 10.1016/j.bmcl.2013.05.018
Homo sapiens Histamine H1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 27196.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -9.42 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 1.16 % 10.6019/CHEMBL4808148
Homo sapiens Homo sapiens CL 17.6 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 18.0 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 18.0 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.36 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.4 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 3.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens F 10.0 % 10.1021/jm900881j
Homo sapiens Homo sapiens Fa 0.5 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.11 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 0.94 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.23 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 5.3 L.kg-1 10.1021/jm901371v
Homo sapiens Kappa opioid receptor AC50 4900.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 AC50 11518.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 AC50 5343.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 23579.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 16323.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 2320.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 2800.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 3000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 6590.1 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 M2 AC50 30000.0 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 Neurokinin 1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide FF receptor 1 Activity nan None 10.1021/jm9011998
Homo sapiens Neuropeptide FF receptor 2 Activity nan None 10.1021/jm9011998
Homo sapiens Neuropeptide Y receptor type 1 AC50 11432.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 260.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 495.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Peroxisome proliferator-activated receptor gamma 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 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 18999.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 3000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 10936.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 20843.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 21000.0 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 40.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 168.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 870.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1d (5-HT1d) receptor Ki 100.0 nM 10.1016/j.bmcl.2013.05.018
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 174.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 1500.0 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 Ki 100.0 nM 10.1016/j.bmcl.2013.05.018
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 20.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 342.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 1.995 nM 10.1016/j.bmcl.2013.05.018
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 543.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 100.0 nM 10.1016/j.bmcl.2013.05.018
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor Ki 2511.89 nM 10.1016/j.bmcl.2013.05.018
Homo sapiens Serotonin 3a (5-HT3a) receptor Ki 10000.0 nM 10.1016/j.bmc.2008.11.045
Homo sapiens Serotonin 4 (5-HT4) receptor EC50 1.0 nM 10.1016/j.bmcl.2012.05.034
Homo sapiens Serotonin 4 (5-HT4) receptor EC50 1.995 nM 10.1016/j.bmcl.2012.05.034
Homo sapiens Serotonin 4 (5-HT4) receptor EC50 2.512 nM 10.1016/j.bmcl.2012.08.051
Homo sapiens Serotonin 4 (5-HT4) receptor EC50 2.512 nM 10.1016/j.bmcl.2013.05.018
Homo sapiens Serotonin 4 (5-HT4) receptor EC50 15.85 nM 10.1016/j.bmcl.2012.05.034
Homo sapiens Serotonin 4 (5-HT4) receptor Intrinsic activity 71.0 % 10.1016/j.bmcl.2012.05.034
Homo sapiens Serotonin 4 (5-HT4) receptor Intrinsic activity 92.0 % 10.1016/j.bmcl.2012.08.051
Homo sapiens Serotonin 4 (5-HT4) receptor Intrinsic activity 92.0 % 10.1016/j.bmcl.2013.05.018
Homo sapiens Serotonin 4 (5-HT4) receptor Intrinsic activity 99.0 % 10.1016/j.bmcl.2012.05.034
Homo sapiens Serotonin 4 (5-HT4) receptor Intrinsic activity 115.0 % 10.1016/j.bmcl.2012.05.034
Homo sapiens Serotonin 4 (5-HT4) receptor Ki 3.981 nM 10.1016/j.bmc.2008.11.045
Homo sapiens Serotonin 4 (5-HT4) receptor Ki 3.981 nM 10.1016/j.bmcl.2012.05.034
Homo sapiens Serotonin 4 (5-HT4) receptor Ki 3.981 nM 10.1016/j.bmcl.2012.08.051
Homo sapiens Serotonin 4 (5-HT4) receptor Ki 3.981 nM 10.1016/j.bmcl.2013.05.018
Homo sapiens Serotonin 4 (5-HT4) receptor Ki 31.0 nM 10.1021/np0601760
Homo sapiens Serotonin 5a (5-HT5a) receptor AC50 190.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor AC50 197.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 7 (5-HT7) receptor AC50 802.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 7 (5-HT7) receptor Ki 100.0 nM 10.1016/j.bmcl.2013.05.018
Homo sapiens Serotonin transporter AC50 2570.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 3474.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 3000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 8389.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Type-1 angiotensin II receptor AC50 1800.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29855.4 nM None
Homo sapiens Vasopressin V1a receptor AC50 21300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 20266.9 nM 10.1038/s41467-023-40064-9
Plasmodium falciparum Plasmodium falciparum Potency 3013.1 nM None
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cyclooxygenase-1 AC50 24962.3 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 12999.9 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 16000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Liver microsomes T1/2 1.5 hr 10.1016/j.bmcl.2012.05.034
Rattus norvegicus Liver microsomes T1/2 1.5 hr 10.1016/j.bmcl.2013.05.018
Rattus norvegicus Liver microsomes T1/2 1.5 hr 10.1021/jm900881j
Rattus norvegicus Liver microsomes T1/2 90.0 hr 10.1016/j.bmcl.2012.08.051
Rattus norvegicus Peripheral myelin protein 22 Potency 18105.6 nM None
Rattus norvegicus Plasma Fu 0.02 None 10.1021/jm901371v
Rattus norvegicus Rattus norvegicus Activity 2.43 mg kg-1 10.1016/j.bmcl.2013.05.018
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acsmedchemlett.8b00035
Rattus norvegicus Rattus norvegicus AUC 21.0 ng.hr.mL-1 10.1021/jm900881j
Rattus norvegicus Rattus norvegicus Cmax 19.91 nM 10.1021/jm900881j
Rattus norvegicus Rattus norvegicus ED50 0.0106 mg.kg-1 10.1016/j.bmcl.2012.05.034
Rattus norvegicus Rattus norvegicus ED50 0.0106 mg.kg-1 10.1021/jm900881j
Rattus norvegicus Rattus norvegicus ED50 0.011 mg.kg-1 10.1016/j.bmcl.2012.08.051
Rattus norvegicus Rattus norvegicus F 5.0 % 10.1021/jm900881j
Rattus norvegicus Rattus norvegicus T1/2 1.8 hr 10.1021/jm900881j
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score -0.04384 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
None ADMET Activity nan None 10.1016/j.bmcl.2013.05.018
None ADMET CL 18.0 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET MRT 4.9 hr 10.1124/dmd.108.020479
None ADMET T1/2 11.0 hr 10.1124/dmd.108.020479
None ADMET Vdss 5.3 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity HepSE_bilirubinemia 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 4.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None NON-PROTEIN TARGET Fu 0.02 None 10.1124/dmd.108.020479
None Unchecked Ac50 3.162 uM None
None Unchecked Ac50 3.981 uM None
None Unchecked Ac50 7.943 uM None
None Unchecked AC50 3162.3 nM None
None Unchecked AC50 3981.1 nM None
None Unchecked AC50 7943.3 nM None
None Unchecked IC50 3131.8 nM None
None Unchecked IC50 7174.71 nM None
None Unchecked IC50 10858.56 nM None
None Unchecked IC50 16844.2 nM None
None Unchecked IC50 40000.0 nM None
None Unchecked Potency 22387.2 nM None
None Unchecked Ratio Ki 580.0 None 10.1016/j.bmcl.2012.05.034
None Unchecked Ratio Ki 580.0 None 10.1016/j.bmcl.2012.08.051

Metabolism Information