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name Structure Reference Source Properties Activities Metabolism

(+)-pilocarpine

AlkaPlorer ID: AK004367

Synonym: '', '(3S-cis)-3-ethyldihydro-4-(1-methyl-1H-imidazol-5-yl)methyl-2(3H)-furanone', '(3S,4R)-3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone', '(+)-pilocarpine', 'Pilocarpine'

IUPAC Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one

Structure

SMILES: CC[C@@H]1C(=O)OC[C@@H]1CC1=CN=CN1C

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InChI: InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1

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InChIKey: QCHFTSOMWOSFHM-WPRPVWTQSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pilocarpus trachylophus Pilocarpus Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 208.261

TPSA？: 44.12

MolLogP？: 1.1618000000000002

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cavia porcellus Ileum Activity nan None 10.1021/jm00229a014
Cavia porcellus Muscarinic acetylcholine receptor M3 Contraction 50.0 % 10.1016/j.bmcl.2004.04.042
Cavia porcellus Muscarinic acetylcholine receptor M3 Efficiency 84.0 % 10.1021/jm00079a002
Cavia porcellus Muscarinic acetylcholine receptor M3 Intrinsic activity 63.0 % 10.1016/0960-894X(95)00301-9
Cavia porcellus Muscarinic acetylcholine receptor M3 KA 1.8 uM 10.1016/0960-894X(95)00301-9
Cavia porcellus Muscarinic acetylcholine receptor M3 pD2 5.9 None 10.1021/jm00079a002
Drosophila melanogaster Muscarinic acetylcholine receptor DM1 Ki 2800.0 nM 10.1021/jf0631934
Drosophila melanogaster Muscarinic acetylcholine receptor DM1 Ki 2980.0 nM 10.1021/jf0631934
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 Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 16107.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 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 2A13 Kd 3000.0 nM 10.1124/dmd.112.045161
Homo sapiens Cytochrome P450 2A13 Ki 1400.0 nM 10.1124/dmd.112.045161
Homo sapiens Cytochrome P450 2A6 Activity nan None None
Homo sapiens Cytochrome P450 2A6 Kd 3600.0 nM 10.1124/dmd.112.045161
Homo sapiens Cytochrome P450 2A6 Ki 3000.0 nM 10.1124/dmd.112.045161
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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A Relaxation nan None 10.1016/j.bmcl.2004.04.042
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 30000.0 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 -37.85 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -2.28 % 10.6019/CHEMBL4808148
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 Kappa opioid receptor AC50 10000.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor ED50 1.0 uM 10.1021/jm00126a030
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 38.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 1500.0 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 M1 Activity nan None 10.1021/jm500860w
Homo sapiens Muscarinic acetylcholine receptor M1 EC50 17.5 nM 10.1016/j.bmcl.2015.02.012
Homo sapiens Muscarinic acetylcholine receptor M1 EC50 812.83 nM 10.1021/acs.jnatprod.2c01079
Homo sapiens Muscarinic acetylcholine receptor M1 EC50 831.76 nM 10.1021/jm500860w
Homo sapiens Muscarinic acetylcholine receptor M1 EC50 8792.0 nM 10.1016/s0960-894x(98)00509-5
Homo sapiens Muscarinic acetylcholine receptor M1 Efficacy 102.0 % 10.1016/j.bmcl.2015.02.012
Homo sapiens Muscarinic acetylcholine receptor M1 Emax 65.0 % 10.1021/acs.jnatprod.2c01079
Homo sapiens Muscarinic acetylcholine receptor M1 Emax 69.0 % 10.1021/jm500860w
Homo sapiens Muscarinic acetylcholine receptor M1 Kd 2691.53 nM 10.1021/jm500860w
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 6606.93 nM 10.1016/j.bmc.2007.12.036
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 7943.28 nM 10.1021/jm500860w
Homo sapiens Muscarinic acetylcholine receptor M1 Max PI 27.0 % 10.1016/s0960-894x(98)00509-5
Homo sapiens Muscarinic acetylcholine receptor M1 Max PI 52.0 % 10.1016/s0960-894x(98)00509-5
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 3802.9 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 15836.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 EC50 1000.0 nM 10.1021/acs.jnatprod.2c01079
Homo sapiens Muscarinic acetylcholine receptor M2 EC50 63000.0 nM 10.1016/s0960-894x(98)00509-5
Homo sapiens Muscarinic acetylcholine receptor M2 Efficacy 73.3 % 10.1016/j.bmcl.2015.02.012
Homo sapiens Muscarinic acetylcholine receptor M2 Emax 39.0 % 10.1021/acs.jnatprod.2c01079
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 12022.64 nM 10.1016/j.bmc.2007.12.036
Homo sapiens Muscarinic acetylcholine receptor M2 Max cAMP 59.0 % 10.1016/s0960-894x(98)00509-5
Homo sapiens Muscarinic acetylcholine receptor M2 Ratio 2.0 None 10.1016/S0960-894X(01)80787-3
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 EC50 1445.44 nM 10.1021/acs.jnatprod.2c01079
Homo sapiens Muscarinic acetylcholine receptor M3 Efficacy 76.5 % 10.1016/j.bmcl.2015.02.012
Homo sapiens Muscarinic acetylcholine receptor M3 Emax 29.0 % 10.1021/acs.jnatprod.2c01079
Homo sapiens Muscarinic acetylcholine receptor M4 EC50 3311.31 nM 10.1021/acs.jnatprod.2c01079
Homo sapiens Muscarinic acetylcholine receptor M4 Efficacy 61.5 % 10.1016/j.bmcl.2015.02.012
Homo sapiens Muscarinic acetylcholine receptor M4 Emax 26.0 % 10.1021/acs.jnatprod.2c01079
Homo sapiens Muscarinic acetylcholine receptor M5 EC50 630.96 nM 10.1021/acs.jnatprod.2c01079
Homo sapiens Muscarinic acetylcholine receptor M5 Efficacy 62.2 % 10.1016/j.bmcl.2015.02.012
Homo sapiens Muscarinic acetylcholine receptor M5 Emax 34.0 % 10.1021/acs.jnatprod.2c01079
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 10232.93 nM 10.1016/j.bmc.2007.12.036
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 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 10000.0 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 2a (5-HT2a) receptor AC50 4718.8 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 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 transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens SK-N-SH PI turnover 33.0 % 10.1016/S0960-894X(01)80787-3
Homo sapiens Solute carrier family 22 member 1 Inhibition 17.0 % 10.1021/jm8003152
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
Musca domestica Musca domestica Activity 0.0 % 10.1021/jf0631934
Musca domestica Musca domestica Activity 3.0 % 10.1021/jf0631934
Musca domestica Musca domestica Activity 7.0 % 10.1021/jf0631934
Musca domestica Musca domestica Activity 10.0 % 10.1021/jf0631934
Musca domestica Musca domestica Activity 23.0 % 10.1021/jf0631934
Musca domestica Musca domestica Activity 67.0 % 10.1021/jf0631934
Mus musculus Muscarinic acetylcholine receptor M1 EC50 6900.0 nM 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M1 Smax 150.0 % 10.1021/jm960467d
Mus musculus Mus musculus Activity nan None 10.1021/ml300372f
Mus musculus Mus musculus ED50 3.87 mg.kg-1 10.1021/jm981048e
Mus musculus Mus musculus ED50 4.0 mg.kg-1 10.1021/jm981048e
Mus musculus Mus musculus ED50 10.0 mg.kg-1 10.1021/jm981048e
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 Muscarinic acetylcholine receptor Efficiency 100.0 % 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor Efficiency 130.0 % 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor IC50 68.0 nM 10.1016/s0960-894x(98)00509-5
Rattus norvegicus Muscarinic acetylcholine receptor IC50 80.0 nM 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor IC50 7600.0 nM 10.1016/S0960-894X(00)80531-4
Rattus norvegicus Muscarinic acetylcholine receptor IC50 7600.0 nM 10.1021/jm00059a008
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.04 uM 10.1021/jm00080a014
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.04 uM 10.1021/jm00166a008
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.04 uM 10.1021/jm00172a003
Rattus norvegicus Muscarinic acetylcholine receptor K app 4.0 uM 10.1021/jm00080a014
Rattus norvegicus Muscarinic acetylcholine receptor K app 4.0 uM 10.1021/jm00166a008
Rattus norvegicus Muscarinic acetylcholine receptor K app 4.0 uM 10.1021/jm00172a003
Rattus norvegicus Muscarinic acetylcholine receptor Ki 82.9 nM 10.1021/jm00115a003
Rattus norvegicus Muscarinic acetylcholine receptor Ki 1010.0 nM 10.1021/jm00115a003
Rattus norvegicus Muscarinic acetylcholine receptor Ki 1110.0 nM 10.1021/jm00115a003
Rattus norvegicus Muscarinic acetylcholine receptor Ki 3670.0 nM 10.1021/jm00009a016
Rattus norvegicus Muscarinic acetylcholine receptor Max stimulation 37.0 % 10.1021/jm00009a016
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 100.0 None 10.1021/jm00080a014
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 100.0 None 10.1021/jm00166a008
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 100.0 None 10.1021/jm00172a003
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 141.0 None 10.1021/jm00009a016
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 960.0 nM 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 4430.0 nM 10.1016/S0960-894X(01)80787-3
Rattus norvegicus Muscarinic acetylcholine receptor M1 Intrinsic activity 37.0 % 10.1016/0960-894X(95)00301-9
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ki 3100.0 nM 10.1016/0960-894X(95)00301-9
Rattus norvegicus Muscarinic acetylcholine receptor M1 pD2 5.6 None 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor M1 pD2 6.5 None 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ratio 12.0 None 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor M2 IC50 8800.0 nM 10.1016/S0960-894X(01)80787-3
Rattus norvegicus Muscarinic acetylcholine receptor M2 Intrinsic activity 48.0 % 10.1016/0960-894X(95)00301-9
Rattus norvegicus Muscarinic acetylcholine receptor M2 Kd 10000.0 nM 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor M2 Ki 9800.0 nM 10.1016/0960-894X(95)00301-9
Rattus norvegicus Rattus norvegicus Activity 58.0 % 10.1021/jm960467d
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm981048e
Rattus norvegicus Rattus norvegicus ED50 4.5 mg.kg-1 10.1021/jm981048e
Rattus norvegicus Rattus norvegicus PI 58.0 % 10.1021/jm00059a008
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC 200000.0 nM 10.1016/j.ejmech.2011.10.053
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC50 nan None 10.1016/j.ejmech.2011.10.053
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1136 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 Binding energy 10.1 kCal mol-1 10.1021/jm00378a021
None ADMET Ratio 0.83 None 10.1124/dmd.112.045161
None ADMET Ratio Ki 0.47 None 10.1124/dmd.112.045161
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Hepatotoxicity HepSE_bilirubinemia 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 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 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 4.6 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value 4.6 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None No relevant target LogD -0.15 None 10.1021/jm00146a001
None No relevant target LogD7.4 -0.37 None 10.6019/CHEMBL3301361
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Ac50 0.7079 uM None
None Unchecked Ac50 7.943 uM None
None Unchecked Ac50 10.0 uM None
None Unchecked Ac50 12.59 uM None
None Unchecked Ac50 22.39 uM None
None Unchecked AC50 707.9 nM None
None Unchecked AC50 7950.0 nM None
None Unchecked AC50 10000.0 nM None
None Unchecked AC50 12589.3 nM None
None Unchecked AC50 22387.2 nM None
None Unchecked IC50 67.0 nM 10.1021/jm981048e
None Unchecked IC50 7600.0 nM 10.1021/jm960467d
None Unchecked IC50 10000.0 nM None
None Unchecked Ki 26.0 nM 10.1021/jm00009a016
None Unchecked Potency ratio 7.0 None 10.1016/s0960-894x(98)00509-5
None Unchecked Ratio 142.0 None 10.1016/S0960-894X(01)80787-3

Metabolism Information