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name Structure Reference Source Properties Activities Metabolism

1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid; Me ester

AlkaPlorer ID: AK010468

Synonym: Arecoline

IUPAC Name: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

Structure

SMILES: COC(=O)C1=CCCN(C)C1

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InChI: InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3

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InChIKey: HJJPJSXJAXAIPN-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 155.197

TPSA？: 29.54

MolLogP？: 0.4213

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cavia porcellus Cavia porcellus EC50 150.0 nM 10.1021/jm00402a010
Cavia porcellus Cavia porcellus Efficacy 100.0 % 10.1016/S0960-894X(00)80178-X
Cavia porcellus Cavia porcellus IC50 600.0 nM 10.1021/jm00090a019
Cavia porcellus Cavia porcellus IC50 1000.0 nM 10.1021/jm00402a010
Cavia porcellus Cavia porcellus Inhibition 100.0 % 10.1021/jm00090a019
Cavia porcellus Cavia porcellus pD2 6.5 None 10.1016/S0960-894X(00)80178-X
Cavia porcellus Muscarinic acetylcholine receptor M3 Efficiency 100.0 % 10.1021/jm00079a002
Cavia porcellus Muscarinic acetylcholine receptor M3 pD2 6.5 None 10.1021/jm00079a002
Cavia porcellus Voltage-dependent L-type calcium channel subunit alpha-1C IC50 33730.0 nM None
Equus caballus Ferritin light chain Potency 316.2 nM None
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.112.047068
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Histone deacetylase 6 Inhibition -30.91 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -0.19 % 10.6019/CHEMBL4808148
Homo sapiens Muscarinic acetylcholine receptor EC50 73.0 nM 10.1021/jm00106a033
Homo sapiens Muscarinic acetylcholine receptor Max contraction 100.0 % 10.1021/jm00106a033
Homo sapiens Muscarinic acetylcholine receptor M1 EC50 3200.0 nM 10.1021/jm00012a019
Homo sapiens Muscarinic acetylcholine receptor M1 EC50 5603.0 nM 10.1016/s0960-894x(98)00509-5
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 115.0 nM 10.1016/s0960-894x(01)00559-5
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 545.0 nM 10.1021/jm00100a005
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 65000.0 nM 10.1021/jm9702903
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 115500.0 nM 10.1016/s0960-894x(01)00559-5
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 145000.0 nM 10.1021/jm9705216
Homo sapiens Muscarinic acetylcholine receptor M1 Inhibition 13.0 % 10.1021/jm9705115
Homo sapiens Muscarinic acetylcholine receptor M1 Inhibition 13.0 % 10.1021/jm9904001
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 14.0 nM 10.1021/jm9904001
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 29000.0 nM 10.1021/jm020572p
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 29512.09 nM 10.1016/j.bmc.2007.12.036
Homo sapiens Muscarinic acetylcholine receptor M1 Max 95.0 % 10.1021/jm00100a005
Homo sapiens Muscarinic acetylcholine receptor M1 Max PI 25.0 % 10.1016/s0960-894x(98)00509-5
Homo sapiens Muscarinic acetylcholine receptor M1 Max PI 51.0 % 10.1016/s0960-894x(98)00509-5
Homo sapiens Muscarinic acetylcholine receptor M1 Ratio 165.0 None 10.1021/jm9702903
Homo sapiens Muscarinic acetylcholine receptor M1 Ratio 1001.62 None 10.1016/s0960-894x(01)00559-5
Homo sapiens Muscarinic acetylcholine receptor M2 EC50 25.0 nM 10.1021/jm00012a019
Homo sapiens Muscarinic acetylcholine receptor M2 EC50 83.0 nM 10.1021/jm00050a006
Homo sapiens Muscarinic acetylcholine receptor M2 EC50 10000.0 nM 10.1016/s0960-894x(98)00509-5
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 1800.0 nM 10.1021/jm9702903
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 4500.0 nM 10.1021/jm9705216
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 40.0 nM 10.1021/jm9705115
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 40.0 nM 10.1021/jm9904001
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 2400.0 nM 10.1021/jm020572p
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 2454.71 nM 10.1016/j.bmc.2007.12.036
Homo sapiens Muscarinic acetylcholine receptor M2 Max cAMP 119.0 % 10.1016/s0960-894x(98)00509-5
Homo sapiens Muscarinic acetylcholine receptor M2 Ratio 0.8 None 10.1016/S0960-894X(01)80787-3
Homo sapiens Muscarinic acetylcholine receptor M3 EC50 100.0 nM 10.1021/jm00156a018
Homo sapiens Muscarinic acetylcholine receptor M3 EC50 340.0 nM 10.1021/jm00012a019
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 11000.0 nM 10.1021/jm9702903
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 58000.0 nM 10.1021/jm9705216
Homo sapiens Muscarinic acetylcholine receptor M3 inhibition (at 100uM) 42.0 % 10.1021/jm9904001
Homo sapiens Muscarinic acetylcholine receptor M3 Ki 5700.0 nM 10.1021/jm9705115
Homo sapiens Muscarinic acetylcholine receptor M3 Ki 43000.0 nM 10.1021/jm020572p
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan nM 10.1021/jm9904001
Homo sapiens Muscarinic acetylcholine receptor M4 EC50 130.0 nM 10.1021/jm00012a019
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 13500.0 nM 10.1021/jm9702903
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 47500.0 nM 10.1021/jm9705216
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 26.0 nM 10.1021/jm9904001
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 2400.0 nM 10.1021/jm9705115
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 2400.0 nM 10.1021/jm9904001
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 60000.0 nM 10.1021/jm020572p
Homo sapiens Muscarinic acetylcholine receptor M5 EC50 600.0 nM 10.1021/jm00012a019
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 62500.0 nM 10.1021/jm9705216
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 56000.0 nM 10.1021/jm020572p
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 56234.13 nM 10.1016/j.bmc.2007.12.036
Homo sapiens Muscarinic acetylcholine receptors; M1 & M2 M2/M1 index 0.1 None 10.1021/jm00012a019
Homo sapiens Muscarinic acetylcholine receptors; M1 & M2 Ratio 0.078 None 10.1021/jm00012a019
Homo sapiens Muscarinic acetylcholine receptors; M2 & M3 EC50 140.0 nM 10.1021/jm00050a006
Homo sapiens Prelamin-A/C Potency 1000.0 nM None
Homo sapiens Regulator of G-protein signaling 4 Potency 3358.7 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 19952.6 nM None
Homo sapiens SK-N-SH PI turnover 69.0 % 10.1016/S0960-894X(01)80787-3
Homo sapiens Thyroid hormone receptor beta-1 Potency 35.5 nM None
Musca domestica Nicotinic acetylcholine receptor alpha 5 subunit Ki 516000.0 nM 10.1584/jpestics.17.4_231
Mus musculus A9 EC50 3080000.0 nM 10.1021/jm00018a007
Mus musculus A9 IC50 1200.0 nM 10.1021/jm960467d
Mus musculus A9 Inhibition 12.0 % 10.1021/jm960467d
Mus musculus A9 Max 73.0 % 10.1021/jm00018a007
Mus musculus Muscarinic acetylcholine receptor M1 EC50 27000.0 nM 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M1 Inhibition 99.4 % 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M1 Inhibition 101.0 % 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M1 Ki 3.33 nM 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M1 Ki 5.45 nM 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M1 Smax 180.0 % 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M2 Inhibition 35.0 % 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M2 Inhibition 65.0 % 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M2 KL 0.56 nM 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M2 Km 2.4 nM 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M3 EC50 12000.0 nM 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M3 Inhibition 100.0 % 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M3 KL 0.87 nM 10.1021/jm960467d
Mus musculus Muscarinic acetylcholine receptor M3 Smax 96.0 % 10.1021/jm960467d
Mus musculus Mus musculus Activity 64.0 % 10.1016/j.bmc.2008.11.045
Mus musculus Mus musculus ED50 15.0 mg.kg-1 10.1021/jm9705216
Mus musculus Mus musculus ED50 16.0 mg.kg-1 10.1021/jm9705216
Mus musculus Mus musculus Score 0.0 None 10.1021/jm00018a007
Oryctolagus cuniculus Oryctolagus cuniculus IC50 545.0 nM 10.1016/S0960-894X(00)80536-3
Oryctolagus cuniculus Oryctolagus cuniculus IC50 545.0 nM 10.1021/jm00090a019
Oryctolagus cuniculus Oryctolagus cuniculus Inhibition 95.0 % 10.1016/S0960-894X(00)80536-3
Oryctolagus cuniculus Oryctolagus cuniculus Inhibition 95.0 % 10.1021/jm00090a019
Plasmodium falciparum Plasmodium falciparum Potency 16944.1 nM None
Rattus norvegicus Inositol monophosphatase 1 Potency 3548.1 nM None
Rattus norvegicus Muscarinic acetylcholine receptor Efficiency 80.0 % 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor Efficiency 100.0 % 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor IC50 1.9 nM 10.1021/jm00402a010
Rattus norvegicus Muscarinic acetylcholine receptor IC50 16.0 nM 10.1021/jm00012a019
Rattus norvegicus Muscarinic acetylcholine receptor IC50 20.0 nM 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor IC50 24.0 nM 10.1016/s0960-894x(98)00509-5
Rattus norvegicus Muscarinic acetylcholine receptor IC50 62.7 nM 10.1021/jm9705216
Rattus norvegicus Muscarinic acetylcholine receptor IC50 77.0 nM 10.1016/S0960-894X(00)80536-3
Rattus norvegicus Muscarinic acetylcholine receptor IC50 77.0 nM 10.1021/jm00106a033
Rattus norvegicus Muscarinic acetylcholine receptor IC50 115.0 nM 10.1021/jm00085a016
Rattus norvegicus Muscarinic acetylcholine receptor IC50 115.0 nM 10.1021/jm00091a007
Rattus norvegicus Muscarinic acetylcholine receptor IC50 115.0 nM 10.1021/jm9702903
Rattus norvegicus Muscarinic acetylcholine receptor IC50 120.0 nM 10.1016/S0960-894X(01)80326-7
Rattus norvegicus Muscarinic acetylcholine receptor IC50 1000.0 nM 10.1016/S0960-894X(00)80531-4
Rattus norvegicus Muscarinic acetylcholine receptor IC50 1000.0 nM 10.1021/jm00043a016
Rattus norvegicus Muscarinic acetylcholine receptor IC50 1000.0 nM 10.1021/jm00059a008
Rattus norvegicus Muscarinic acetylcholine receptor IC50 1700.0 nM 10.1021/jm00012a019
Rattus norvegicus Muscarinic acetylcholine receptor IC50 2100.0 nM 10.1021/jm00012a019
Rattus norvegicus Muscarinic acetylcholine receptor IC50 5600.0 nM 10.1021/jm00156a018
Rattus norvegicus Muscarinic acetylcholine receptor IC50 19000.0 nM 10.1021/jm9702903
Rattus norvegicus Muscarinic acetylcholine receptor IC50 25000.0 nM 10.1016/S0960-894X(01)80326-7
Rattus norvegicus Muscarinic acetylcholine receptor IC50 25400.0 nM 10.1021/jm00085a016
Rattus norvegicus Muscarinic acetylcholine receptor IC50 25400.0 nM 10.1021/jm00091a007
Rattus norvegicus Muscarinic acetylcholine receptor IC50 28000.0 nM 10.1021/jm00012a019
Rattus norvegicus Muscarinic acetylcholine receptor IC50 106000.0 nM 10.1021/jm00106a033
Rattus norvegicus Muscarinic acetylcholine receptor Inhibition 43.0 % 10.1021/jm9904001
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.011 uM 10.1021/jm00080a014
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.011 uM 10.1021/jm00107a032
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.011 uM 10.1021/jm00166a008
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.011 uM 10.1021/jm00169a041
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.011 uM 10.1021/jm00172a003
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.011 uM 10.1021/jm00397a039
Rattus norvegicus Muscarinic acetylcholine receptor K app 6.2 uM 10.1021/jm00080a014
Rattus norvegicus Muscarinic acetylcholine receptor K app 6.2 uM 10.1021/jm00107a032
Rattus norvegicus Muscarinic acetylcholine receptor K app 6.2 uM 10.1021/jm00166a008
Rattus norvegicus Muscarinic acetylcholine receptor K app 6.2 uM 10.1021/jm00169a041
Rattus norvegicus Muscarinic acetylcholine receptor K app 6.2 uM 10.1021/jm00172a003
Rattus norvegicus Muscarinic acetylcholine receptor K app 6.2 uM 10.1021/jm00397a039
Rattus norvegicus Muscarinic acetylcholine receptor Ki 5.3 nM 10.1021/jm9904001
Rattus norvegicus Muscarinic acetylcholine receptor Ki 31.0 nM 10.1021/jm9904001
Rattus norvegicus Muscarinic acetylcholine receptor Ki 40.0 nM 10.1016/S0960-894X(01)80157-8
Rattus norvegicus Muscarinic acetylcholine receptor Ki 1900.0 nM 10.1021/jm9904001
Rattus norvegicus Muscarinic acetylcholine receptor Ki 7120.0 nM 10.1021/jm00009a016
Rattus norvegicus Muscarinic acetylcholine receptor Max stimulation 28.0 % 10.1021/jm00009a016
Rattus norvegicus Muscarinic acetylcholine receptor Muscarinic agonist index 223.0 None 10.1021/jm00106a033
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 210.0 None 10.1016/S0960-894X(01)80326-7
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 222.0 None 10.1021/jm00085a016
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 222.0 None 10.1021/jm00091a007
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 360.0 None 10.1021/jm9904001
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 560.0 None 10.1021/jm00080a014
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 560.0 None 10.1021/jm00107a032
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 560.0 None 10.1021/jm00166a008
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 560.0 None 10.1021/jm00169a041
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 560.0 None 10.1021/jm00172a003
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 960.0 None 10.1021/jm00009a016
Rattus norvegicus Muscarinic acetylcholine receptor M1 EC50 220.0 nM 10.1021/jm00050a006
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 77.0 nM 10.1021/jm00018a007
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 77.0 nM 10.1021/jm00090a019
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 77.0 nM 10.1021/jm00100a005
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 1100.0 nM 10.1021/jm00402a010
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 1300.0 nM 10.1016/S0960-894X(00)80536-3
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 1300.0 nM 10.1021/jm00018a007
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 1300.0 nM 10.1021/jm00090a019
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 1300.0 nM 10.1021/jm00100a005
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 1737.8 nM 10.1016/S0960-894X(00)80178-X
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 1740.0 nM 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 11920.0 nM 10.1016/S0960-894X(01)80787-3
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 460000.0 nM 10.1016/j.bmc.2009.06.032
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 469000.0 nM 10.1016/j.bmc.2008.03.019
Rattus norvegicus Muscarinic acetylcholine receptor M1 IC50 469000.0 nM 10.1016/j.ejmech.2009.07.026
Rattus norvegicus Muscarinic acetylcholine receptor M1 Inhibition 13.0 % 10.1021/jm9705115
Rattus norvegicus Muscarinic acetylcholine receptor M1 Inhibition 43.0 % 10.1021/jm9705115
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ki 86000.0 nM 10.1016/j.bmc.2008.03.019
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ki 86000.0 nM 10.1016/j.ejmech.2009.07.026
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ki 88000.0 nM 10.1016/j.bmc.2009.06.032
Rattus norvegicus Muscarinic acetylcholine receptor M1 pD2 6.6 None 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ratio 87.0 None 10.1021/jm00079a002
Rattus norvegicus Muscarinic acetylcholine receptor M2 IC50 590.0 nM 10.1021/jm00402a010
Rattus norvegicus Muscarinic acetylcholine receptor M2 IC50 9150.0 nM 10.1016/S0960-894X(01)80787-3
Rattus norvegicus Muscarinic acetylcholine receptor M2 IC50 11000.0 nM 10.1021/jm00402a010
Rattus norvegicus Muscarinic acetylcholine receptor M2 Ki 40.0 nM 10.1021/jm9705115
Rattus norvegicus Muscarinic acetylcholine receptor M3 Ki 5700.0 nM 10.1021/jm9705115
Rattus norvegicus Muscarinic acetylcholine receptor M4 Ki 2400.0 nM 10.1021/jm9705115
Rattus norvegicus Neuronal acetylcholine receptor Ki 224.0 nM 10.1016/S0960-894X(01)80157-8
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 Ki 270.0 nM 10.1021/jm9705115
Rattus norvegicus Peripheral myelin protein 22 Potency 40533.4 nM None
Rattus norvegicus Rattus norvegicus Activity 110.0 % 10.1021/jm960467d
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmc.2009.06.032
Rattus norvegicus Rattus norvegicus ED50 1.6e-06 M 10.1021/jm9708588
Rattus norvegicus Rattus norvegicus ED50 0.022 mg.kg-1 10.1021/jm9702903
Rattus norvegicus Rattus norvegicus ED50 0.024 mg.kg-1 10.1021/jm9702903
Rattus norvegicus Rattus norvegicus ED50 2.2 M 10.1021/jm9708588
Rattus norvegicus Rattus norvegicus ED Arec 0.32 mg kg-1 10.1021/jm9702903
Rattus norvegicus Rattus norvegicus Efficacy 80.0 % 10.1016/S0960-894X(00)80178-X
Rattus norvegicus Rattus norvegicus Efficacy 100.0 % 10.1016/S0960-894X(00)80178-X
Rattus norvegicus Rattus norvegicus pD2 6.1 None 10.1016/S0960-894X(00)80178-X
Rattus norvegicus Rattus norvegicus pD2 6.6 None 10.1016/S0960-894X(00)80178-X
Rattus norvegicus Rattus norvegicus PI 110.0 % 10.1021/jm00059a008
Rattus norvegicus Rattus norvegicus PI metabolism 110.0 % 10.1021/jm00043a016
Rattus norvegicus Rattus norvegicus TIME 0.001389 hr 10.1016/j.bmc.2009.06.032
Rattus norvegicus Rattus norvegicus TIME 0.002778 hr 10.1016/j.bmc.2009.06.032
Rattus norvegicus Rattus norvegicus TIME 0.01 hr 10.1016/j.bmc.2009.06.032
Rattus norvegicus Rattus norvegicus TIME 0.01444 hr 10.1016/j.bmc.2009.06.032
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 1000.0 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 17.68 % 10.6019/CHEMBL4495564
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 0.3 % 10.6019/CHEMBL4495565
None ADMET Binding energy 7.2 kCal mol-1 10.1021/jm00378a021
None NON-PROTEIN TARGET Anticonvulsant activity nan None 10.1016/s0960-894x(03)00535-3
None NON-PROTEIN TARGET Potency 21.1 nM None
None NON-PROTEIN TARGET Potency 94.3 nM None
None NON-PROTEIN TARGET Potency 13324.4 nM None
None NON-PROTEIN TARGET Potency 14950.2 nM None
None NON-PROTEIN TARGET Ratio 0.07 None 10.1021/jm9702903
None NON-PROTEIN TARGET Ratio 0.075 None 10.1021/jm9702903
None No relevant target pKa 7.64 None 10.1007/s11095-013-1232-z
None No relevant target pKa 7.8 None 10.1021/jm00156a018
None Unchecked Ac50 44.67 uM None
None Unchecked AC50 44668.4 nM None
None Unchecked Agonist index 280.0 None 10.1021/jm00012a019
None Unchecked IC50 1000.0 nM 10.1021/jm960467d
None Unchecked Ki 7.4 nM 10.1021/jm00009a016
None Unchecked Ki 240000.0 nM 10.1584/jpestics.17.4_231
None Unchecked M-agonist index 938.0 None 10.1021/jm00402a010
None Unchecked Potency ratio 2.0 None 10.1016/s0960-894x(98)00509-5
None Unchecked Ratio 0.07 None 10.1021/jm00402a010
None Unchecked Ratio 560.0 None 10.1021/jm00397a039
None Unchecked Ratio 604.0 None 10.1016/S0960-894X(01)80787-3
None Unchecked Ratio 3000.0 None 10.1021/jm9904001
None Unchecked Selectivity 0.18 None 10.1016/S0960-894X(01)80157-8

Metabolism Information