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name Structure Reference Source Properties Activities Metabolism

Atropine

AlkaPlorer ID: AK003838

Synonym: None

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate

Structure

SMILES: CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)C1=CC=CC=C1)C2

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InChI: InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?

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InChIKey: RKUNBYITZUJHSG-SPUOUPEWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Datura stramonium Datura Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 289.37500000000006

TPSA？: 49.77

MolLogP？: 1.9309

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bombyx mori Bombyx mori Activity nan None 10.1271/bbb.62.2046
Bombyx mori Bombyx mori TIME 24.0 hr 10.1271/bbb.62.2046
Bombyx mori Bombyx mori TIME 112.8 hr 10.1271/bbb.62.2046
Bos taurus Muscarinic acetylcholine receptor M1 Ki 0.2 nM 10.1021/jm00402a035
Bos taurus Muscarinic acetylcholine receptor M1 Ki 2.4 nM 10.1021/jm00127a020
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Canis lupus familiaris Canis familiaris ID50 0.0032 mg.kg-1 10.1021/jm00123a032
Canis lupus familiaris Canis familiaris ID50 0.007 mg.kg-1 10.1021/jm00123a032
Canis lupus familiaris Canis familiaris Ratio 0.46 None 10.1021/jm00123a032
Cavia porcellus Cavia porcellus Contraction 3.9 % 10.1021/jm010576e
Cavia porcellus Cavia porcellus IC50 0.0038 ug.mL-1 10.1021/jm00388a025
Cavia porcellus Cavia porcellus Kb 0.5 nM 10.1021/jm00163a050
Cavia porcellus Cavia porcellus Kb 0.66 nM 10.1021/jm00170a010
Cavia porcellus Cavia porcellus Kb 2.0 nM 10.1021/jm00388a010
Cavia porcellus Cavia porcellus Kb 3.16 nM 10.1021/jm00170a010
Cavia porcellus Cavia porcellus Kd 0.8913 nM 10.1021/jm00117a007
Cavia porcellus Cavia porcellus Kd 0.9 nM 10.1021/jm00124a022
Cavia porcellus Cavia porcellus Kd 1.122 nM 10.1021/jm00117a007
Cavia porcellus Cavia porcellus Kd 1.23 nM 10.1021/jm00117a007
Cavia porcellus Cavia porcellus Kd 1.995 nM 10.1021/jm00388a010
Cavia porcellus Cavia porcellus Log B/F 1.44 None 10.1021/jm00179a017
Cavia porcellus Cavia porcellus pKB 7.18 None 10.1021/jm0155594
Cavia porcellus Cavia porcellus pKB 7.45 None 10.1021/jm0155594
Cavia porcellus Cavia porcellus pKB 9.15 None 10.1021/jm0155594
Cavia porcellus Histamine H2 receptor K0.5 1236.0 nM 10.1021/jm980428x
Cavia porcellus Ileum Activity nan None 10.1021/np50111a020
Cavia porcellus Ileum INH 3.7 10'-9mol/L 10.1007/s00044-012-0147-2
Cavia porcellus Ileum Kd 2.042 nM 10.1021/np50059a043
Cavia porcellus Ileum Kd 3.981 nM 10.1007/s00044-012-0147-2
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Muscarinic acetylcholine receptor M3 ID50 0.15 mg.kg-1 10.1021/jm00101a019
Cavia porcellus Muscarinic acetylcholine receptor M3 Kb 1.7 nM 10.1021/jm00057a010
Cavia porcellus Muscarinic acetylcholine receptor M3 Kb 1.7 nM 10.1021/jm00101a019
Cavia porcellus Muscarinic acetylcholine receptor M3 Kd 0.7762 nM 10.1016/0960-894X(95)00092-8
Cavia porcellus Muscarinic acetylcholine receptor M3 Kd 1.023 nM 10.1016/j.bmc.2018.04.023
Cavia porcellus Muscarinic acetylcholine receptor M3 Kd 1.023 nM 10.1016/j.bmc.2019.02.020
Cavia porcellus Muscarinic acetylcholine receptor M3 Kd 1.479 nM 10.1021/jm00121a017
Cavia porcellus Muscarinic acetylcholine receptor M3 pKb 8.99 None 10.1016/j.bmc.2017.07.058
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Chikungunya virus Chikungunya virus Activity 149.2 % 10.1016/j.bmc.2023.117239
Cricetulus griseus CHO Activity nan None 10.1021/np50028a027
Cryptosporidium parvum Cryptosporidium parvum IC50 nan None 10.1016/j.bmc.2010.01.068
Danio rerio Danio rerio Activity nan None 10.1038/nchembio.307
Entamoeba histolytica Entamoeba histolytica IC50 100.0 ug.mL-1 10.1007/s00044-011-9767-1
Entamoeba histolytica Entamoeba histolytica IC50 nan None 10.1016/j.bmc.2010.01.068
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 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 30000.0 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 Adhesion G-protein coupled receptor F1 %Inhib (Mean) -101.61 % 10.6019/CHEMBL5209801
Homo sapiens Adhesion G-protein coupled receptor F1 %Max (Mean) 8.69 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 1354.0 nM None
Homo sapiens Alpha-1d adrenergic receptor Ki 666.0 nM None
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor %Inhib (Mean) -33.64 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor %Max (Mean) -2.3 % 10.6019/CHEMBL5209801
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 Apelin receptor %Inhib (Mean) -33.6 % 10.6019/CHEMBL5209801
Homo sapiens Apelin receptor %Max (Mean) -1.717 % 10.6019/CHEMBL5209801
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 nan None None
Homo sapiens Beta-2 adrenergic receptor %Inhib (Mean) -33.93 % 10.6019/CHEMBL5209801
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor %Max (Mean) -2.37 % 10.6019/CHEMBL5209801
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 AC50 300000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 135000.0 nM 10.1093/toxsci/kfq269
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.112.047068
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Bromodomain-containing protein 4 Delta TM -1.89 C None
Homo sapiens C5a anaphylatoxin chemotactic receptor %Inhib (Mean) -35.98 % 10.6019/CHEMBL5209801
Homo sapiens C5a anaphylatoxin chemotactic receptor %Max (Mean) -2.493 % 10.6019/CHEMBL5209801
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 59.0 % 10.1021/jm7015683
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 2 IC50 133000.0 nM 10.1093/toxsci/kft176
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 Casein kinase I delta Delta TM -0.04 C None
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 Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens C-X3-C chemokine receptor 1 %Inhib (Mean) -52.58 % 10.6019/CHEMBL5209801
Homo sapiens C-X3-C chemokine receptor 1 %Max (Mean) -2.33 % 10.6019/CHEMBL5209801
Homo sapiens Cyclin-dependent kinase 2 Delta TM 0.39 C 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 Inhibition 30.0 % 10.1021/np020023m
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 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 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 FC 44.8 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens Dopamine D1 receptor AC50 30000.0 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 nan None None
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 30000.0 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 Fibroblast Growth Rate -0.32 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.04 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate 0.91 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast growth factor receptor 3 Delta TM 0.09 C 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 Glucagon-like peptide 1 receptor %Inhib (Mean) -55.36 % 10.6019/CHEMBL5209801
Homo sapiens Glucagon-like peptide 1 receptor %Max (Mean) -2.274 % 10.6019/CHEMBL5209801
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glucose-dependent insulinotropic receptor %Inhib (Mean) -50.5 % 10.6019/CHEMBL5209801
Homo sapiens Glucose-dependent insulinotropic receptor %Max (Mean) -0.96 % 10.6019/CHEMBL5209801
Homo sapiens Glycogen synthase kinase-3 beta Delta TM -0.25 C None
Homo sapiens G-protein coupled receptor 120 %Inhib (Mean) -63.74 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 120 %Max (Mean) 2.783 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 35 %Inhib (Mean) -38.92 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 35 %Max (Mean) 1.36 % 10.6019/CHEMBL5209801
Homo sapiens HEK-293T Growth Rate 0.19 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate 0.44 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate 0.53 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate 0.6 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate 0.65 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate 0.68 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate 0.9 None 10.6019/CHEMBL5058564
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
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 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens CL 3.3 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 7.6 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 7.6 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 4.3 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 4.33 mL.min-1.kg-1 10.1021/jm900403j
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 0.98 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.5 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 0.59 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.86 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 2.0 L.kg-1 10.1016/j.ejmech.2009.06.004
Homo sapiens Homo sapiens Vdss 3.3 L.kg-1 10.1021/jm901371v
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 nan None None
Homo sapiens Kappa opioid receptor Ki nan None 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 Lipoxin A4 receptor %Inhib (Mean) -23.64 % 10.6019/CHEMBL5209801
Homo sapiens Lipoxin A4 receptor %Max (Mean) -2.52 % 10.6019/CHEMBL5209801
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 Delta TM 0.12 C 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 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 Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor ED50 0.05 mg.kg-1 10.1021/jm00101a019
Homo sapiens Muscarinic acetylcholine receptor ED50 0.05 nM 10.1021/jm00057a010
Homo sapiens Muscarinic acetylcholine receptor ED50 0.15 nM 10.1021/jm00057a010
Homo sapiens Muscarinic acetylcholine receptor ID50 0.14 mg.kg-1 10.1021/jm00101a019
Homo sapiens Muscarinic acetylcholine receptor ID50 0.14 nM 10.1021/jm00057a010
Homo sapiens Muscarinic acetylcholine receptor K-1 0.095 min-1 10.1021/jm010196t
Homo sapiens Muscarinic acetylcholine receptor K-1 0.108 min-1 10.1021/jm010196t
Homo sapiens Muscarinic acetylcholine receptor K-2 0.018 min-1 10.1021/jm010196t
Homo sapiens Muscarinic acetylcholine receptor K-2 0.025 min-1 10.1021/jm010196t
Homo sapiens Muscarinic acetylcholine receptor KA 167000000.0 M-1 10.1021/jm00351a020
Homo sapiens Muscarinic acetylcholine receptor Kb 0.85 nM 10.1021/jm00150a004
Homo sapiens Muscarinic acetylcholine receptor Kd 0.8913 nM 10.1021/jm00117a006
Homo sapiens Muscarinic acetylcholine receptor Kd 0.9 nM 10.1021/jm00080a013
Homo sapiens Muscarinic acetylcholine receptor Kd 0.9 nM 10.1021/jm00174a014
Homo sapiens Muscarinic acetylcholine receptor Kd 1.122 nM 10.1021/jm00117a006
Homo sapiens Muscarinic acetylcholine receptor Kd 1.23 nM 10.1021/jm00117a006
Homo sapiens Muscarinic acetylcholine receptor Kd 2.042 nM 10.1021/jm00384a034
Homo sapiens Muscarinic acetylcholine receptor Ki 0.32 nM 10.1021/jm970346t
Homo sapiens Muscarinic acetylcholine receptor Ki 0.85 nM 10.1021/jm970346t
Homo sapiens Muscarinic acetylcholine receptor Ki 0.89 nM 10.1021/jm970346t
Homo sapiens Muscarinic acetylcholine receptor Ki 1.0 nM 10.1021/jm00388a010
Homo sapiens Muscarinic acetylcholine receptor Ki 1.6 nM 10.1021/jm970346t
Homo sapiens Muscarinic acetylcholine receptor Ki 2.4 nM 10.1021/jm010196t
Homo sapiens Muscarinic acetylcholine receptor RBI 3.0 None 10.1021/jm00351a020
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 5.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 9.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 24.0 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 M1 Activity 90.0 % 10.1021/np50094a001
Homo sapiens Muscarinic acetylcholine receptor M1 Activity nan None 10.1016/j.bmcl.2012.09.011
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 1.521 nM None
Homo sapiens Muscarinic acetylcholine receptor M1 Imax 99.5 % 10.1016/j.bmcl.2018.12.022
Homo sapiens Muscarinic acetylcholine receptor M1 Kb 0.4 nM 10.1021/jm00057a010
Homo sapiens Muscarinic acetylcholine receptor M1 Kb 0.4 nM 10.1021/jm00101a019
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 0.25 nM 10.1021/jm010480k
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 0.3 nM 10.1021/np50094a001
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 0.329 nM 10.1021/jm00108a030
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 0.366 nM None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 0.44 nM 10.1016/j.bmcl.2018.12.022
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 0.5754 nM 10.1021/jm201348t
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 0.922 nM 10.1016/j.bmc.2013.01.072
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 1.202 nM 10.1021/jm201348t
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 2.0 nM 10.1021/jm00041a006
Homo sapiens Muscarinic acetylcholine receptor M1 and M3 Ratio Ki 0.424 None 10.1016/j.bmc.2013.01.072
Homo sapiens Muscarinic acetylcholine receptor M1 and M3 Ratio Ki 2.4 None 10.1016/j.bmc.2013.01.072
Homo sapiens Muscarinic acetylcholine receptor M1 and M3 Selectivity 0.96 None 10.1021/jm010480k
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 3.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 5.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 3.735 nM None
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 8.128 nM 10.1021/acs.jmedchem.8b01967
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 8.128 nM 10.1021/acs.jmedchem.9b02172
Homo sapiens Muscarinic acetylcholine receptor M2 Imax 99.4 % 10.1016/j.bmcl.2018.12.022
Homo sapiens Muscarinic acetylcholine receptor M2 Inhibition nan % 10.1021/acs.jmedchem.6b01892
Homo sapiens Muscarinic acetylcholine receptor M2 Inhibition nan % 10.1021/acs.jmedchem.8b01967
Homo sapiens Muscarinic acetylcholine receptor M2 Kb 1.5 nM 10.1021/jm00057a010
Homo sapiens Muscarinic acetylcholine receptor M2 Kb 1.5 nM 10.1021/jm00101a019
Homo sapiens Muscarinic acetylcholine receptor M2 Kb 2.0 nM 10.1021/jm00127a020
Homo sapiens Muscarinic acetylcholine receptor M2 Kd 1.349 nM 10.1021/jm00121a017
Homo sapiens Muscarinic acetylcholine receptor M2 Kd 1.995 nM 10.1021/jm00127a020
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 0.344 nM 10.1021/jm00108a030
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 0.8128 nM 10.1021/acs.jmedchem.6b01892
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 0.9 nM 10.1016/j.bmcl.2018.12.022
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 0.912 nM 10.1021/acs.jmedchem.9b02172
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 1.0 nM 10.1021/jm00041a006
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 1.328 nM None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 1.44 nM 10.1016/j.bmc.2013.01.072
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 1.5 nM 10.1021/jm010480k
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 1.9 nM 10.1021/jm100697g
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 2.512 nM 10.1021/acs.jmedchem.9b02172
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 3.162 nM 10.1021/acs.jmedchem.9b02172
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 4.898 nM 10.1021/acs.jmedchem.9b02172
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 7.079 nM 10.1021/acs.jmedchem.9b02172
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 15.85 nM 10.1021/acs.jmedchem.6b01892
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 16.98 nM 10.1021/acs.jmedchem.6b01892
Homo sapiens Muscarinic acetylcholine receptor M2 Ki 18.62 nM 10.1021/acs.jmedchem.9b02172
Homo sapiens Muscarinic acetylcholine receptor M2 pIC50 nan None 10.1021/acs.jmedchem.9b02172
Homo sapiens Muscarinic acetylcholine receptor M2 pKb 8.63 None 10.1021/acs.jmedchem.6b01892
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 2.071 nM None
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 3.2 nM None
Homo sapiens Muscarinic acetylcholine receptor M3 Imax 99.3 % 10.1016/j.bmcl.2018.12.022
Homo sapiens Muscarinic acetylcholine receptor M3 Ki 0.439 nM None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki 0.5 nM 10.1021/jm010480k
Homo sapiens Muscarinic acetylcholine receptor M3 Ki 0.53 nM 10.1016/j.bmcl.2018.12.022
Homo sapiens Muscarinic acetylcholine receptor M3 Ki 0.9 nM 10.1021/jm100697g
Homo sapiens Muscarinic acetylcholine receptor M3 Ki 2.18 nM 10.1016/j.bmc.2013.01.072
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 0.744 nM None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 0.104 nM None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 0.34 nM 10.1021/jm010480k
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 0.64 nM 10.1016/j.bmcl.2017.05.042
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 1.39 nM 10.1016/j.bmc.2013.01.072
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 1.6 nM 10.1016/j.bmcl.2017.04.009
Homo sapiens Muscarinic acetylcholine receptor M4 Ki 3.0 nM 10.1021/jm100697g
Homo sapiens Muscarinic acetylcholine receptor M4 pIC50 nan None 10.1021/acs.jmedchem.9b02172
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 0.922 nM None
Homo sapiens Muscarinic acetylcholine receptor M5 Imax 96.7 % 10.1016/j.bmcl.2018.12.022
Homo sapiens Muscarinic acetylcholine receptor M5 Inhibition nan % 10.1021/jm500995y
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 0.21 nM 10.1021/jm900286j
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 0.4 nM 10.1016/j.bmc.2011.08.033
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 0.54 nM 10.1021/jm010480k
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 0.6 nM 10.1016/j.bmcl.2018.12.022
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 0.662 nM None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 1.0 nM 10.1021/jm100697g
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 1.47 nM 10.1021/jm500995y
Homo sapiens Muscarinic acetylcholine receptor M5 %max 1.8 % 10.1021/jm500995y
Homo sapiens Muscarinic acetylcholine receptors; M1 & M2 Ki 0.683 nM 10.1021/jm00108a030
Homo sapiens Muscarinic acetylcholine receptors; M1 & M2 Ratio 3.5 None 10.1021/jm00402a035
Homo sapiens Muscarinic acetylcholine receptors; M2 & M3 Ratio 1.0 None 10.1021/jm00121a017
Homo sapiens Muscarinic acetylcholine receptors; M2 & M3 Selectivity 2.9 None 10.1021/jm010480k
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 Norepinephrine transporter AC50 30000.0 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 Peregrin Delta TM -0.84 C 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 Plasma PPB 24.55 % 10.1021/acs.jmedchem.6b01484
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None 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 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 Aurora-A Delta TM -0.57 C 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 30000.0 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 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 1012.0 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 530.0 nM 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens Serum albumin Log B/F 1.004 None 10.1021/jm00179a017
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Skin log Kp -8.05 None 10.1016/j.bmc.2007.07.050
Homo sapiens Sodium channel alpha subunits; brain (Types I, II, III) Inhibition 4.5 % 10.1021/jm00381a019
Homo sapiens Solute carrier family 22 member 1 IC50 12200.0 nM 10.1021/jm8003152
Homo sapiens Solute carrier family 22 member 1 Inhibition 76.5 % 10.1021/jm8003152
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Inhib (Mean) -52.34 % 10.6019/CHEMBL5209801
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Max (Mean) 6.32 % 10.6019/CHEMBL5209801
Homo sapiens Thrombin 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 Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Transcription intermediary factor 1-alpha Delta TM -0.18 C None
Homo sapiens Type-1 angiotensin II receptor %Inhib (Mean) -30.39 % 10.6019/CHEMBL5209801
Homo sapiens Type-1 angiotensin II receptor %Max (Mean) -0.14 % 10.6019/CHEMBL5209801
Homo sapiens Tyrosine-protein kinase ABL Delta TM 0.04 C 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 U2OS Growth Rate 0.79 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.86 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.95 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.96 None 10.6019/CHEMBL5058564
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
Leishmania amazonensis Leishmania amazonensis IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania donovani Leishmania donovani IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania infantum Leishmania infantum IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania major Leishmania major IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania mexicana Leishmania mexicana IC50 nan None 10.1016/j.bmc.2010.01.068
Musca domestica Nicotinic acetylcholine receptor alpha 5 subunit Ki 32500.0 nM 10.1584/jpestics.17.4_231
Mus musculus Acetylcholinesterase Ki 0.35 nM 10.1021/jm00084a015
Mus musculus Acetylcholinesterase Ki 0.7 nM 10.1021/jm00084a015
Mus musculus Acetylcholinesterase Ratio 2.0 None 10.1021/jm00084a015
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Monoamine oxidase B Activity nan None 10.1021/jm800656v
Mus musculus Muscarinic acetylcholine receptor Activity nan None 10.1021/acs.jmedchem.9b02100
Mus musculus Muscarinic acetylcholine receptor Analgesic efficacy 42.0 % 10.1021/jm00037a022
Mus musculus Muscarinic acetylcholine receptor ED50 0.7 mg.kg-1 10.1021/jm00037a022
Mus musculus Muscarinic acetylcholine receptor Inhibition nan % 10.1021/acs.jmedchem.9b02100
Mus musculus Muscarinic acetylcholine receptor M1 K 0.5 0.6 nM 10.1021/jm980076u
Mus musculus Muscarinic acetylcholine receptor M2 Ki 0.35 nM 10.1021/jm00095a008
Mus musculus Muscarinic acetylcholine receptor M2 Ki 0.7 nM 10.1021/jm00095a008
Mus musculus Muscarinic acetylcholine receptor M2 Ratio 2.0 None 10.1021/jm00095a008
Mus musculus Mus musculus Activity 14.9 s 10.1016/j.bmc.2007.01.022
Mus musculus Mus musculus ED50 0.061 mg.kg-1 10.1021/jm00366a023
Mus musculus Mus musculus ED50 0.43 umol.kg-1 10.1021/jm00150a004
Mus musculus Mus musculus ED50 0.57 umol.kg-1 10.1021/jm00398a031
Mus musculus Mus musculus ED50 0.86 umol.kg-1 10.1021/jm00150a004
Mus musculus Mus musculus ED50 30.0 mg.kg-1 10.1021/jm9602470
Mus musculus Mus musculus INH 2.8 umol/Kg 10.1007/s00044-012-0147-2
Mus musculus Mus musculus LD50 32.0 mg.kg-1 10.1021/jm00366a023
Mus musculus Mus musculus LD50 104.0 umol.kg-1 10.1021/jm00150a004
Mus musculus Mus musculus LD50 104.0 umol.kg-1 10.1021/jm00398a031
Mus musculus Mus musculus LD50 500.0 mg.kg-1 10.1016/j.bmc.2009.04.001
Mus musculus Mus musculus Mean score 0.0 None 10.1021/jm00106a053
Mus musculus Mus musculus Mean score 0.5 None 10.1021/jm00106a053
Mus musculus Mus musculus ND 2.2 mg kg-1 10.1021/jm00366a023
Mus musculus Mus musculus Tremorolytic dose 0.57 uM kg-1 10.1021/jm00124a022
Mus musculus Mus musculus Tremorolytic dose 0.9 uM kg-1 10.1021/jm00080a013
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mustela putorius furo Mustela putorius furo ED (1mV) 30.0 ug kg-1 10.1021/jm9602470
Mustela putorius furo Mustela putorius furo ED50 0.00073 mg.kg-1 10.1021/jm9602470
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 Plasmodium falciparum IC50 nan None 10.1016/j.bmc.2010.01.068
Pneumocystis carinii Pneumocystis carinii IC50 nan None 10.1016/j.bmc.2010.01.068
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Ileum Inhibition nan % 10.1016/j.ejmech.2016.01.021
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Muscarinic acetylcholine receptor IC50 0.48 nM 10.1016/j.bmc.2010.07.034
Rattus norvegicus Muscarinic acetylcholine receptor IC50 1.3 nM 10.1021/jm00358a014
Rattus norvegicus Muscarinic acetylcholine receptor IC50 4.84 nM 10.1021/jm00182a011
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.00048 uM 10.1021/jm00080a014
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.00048 uM 10.1021/jm00107a032
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.00048 uM 10.1021/jm00166a008
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.00048 uM 10.1021/jm00169a041
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.00048 uM 10.1021/jm00172a003
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.00048 uM 10.1021/jm00397a039
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.001 uM 10.1021/jm00080a014
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.001 uM 10.1021/jm00107a032
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.001 uM 10.1021/jm00166a008
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.001 uM 10.1021/jm00169a041
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.001 uM 10.1021/jm00172a003
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.001 uM 10.1021/jm00397a039
Rattus norvegicus Muscarinic acetylcholine receptor K app 0.48 nM 10.1021/jm00083a016
Rattus norvegicus Muscarinic acetylcholine receptor K app 1.0 nM 10.1021/jm00083a016
Rattus norvegicus Muscarinic acetylcholine receptor Kd 1.288 nM 10.1021/jm00117a006
Rattus norvegicus Muscarinic acetylcholine receptor Kd 1.318 nM 10.1021/jm00384a034
Rattus norvegicus Muscarinic acetylcholine receptor Kd 1.479 nM 10.1021/jm00384a034
Rattus norvegicus Muscarinic acetylcholine receptor Kd 1.862 nM 10.1021/jm00385a008
Rattus norvegicus Muscarinic acetylcholine receptor Ki 0.3 nM 10.1021/jm00115a003
Rattus norvegicus Muscarinic acetylcholine receptor Ki 0.337 nM 10.1021/jm00090a006
Rattus norvegicus Muscarinic acetylcholine receptor Ki 0.337 nM 10.1021/jm00115a003
Rattus norvegicus Muscarinic acetylcholine receptor Ki 0.45 nM 10.1021/jm00163a050
Rattus norvegicus Muscarinic acetylcholine receptor Ki 0.459 nM 10.1021/jm00090a006
Rattus norvegicus Muscarinic acetylcholine receptor Ki 0.459 nM 10.1021/jm00115a003
Rattus norvegicus Muscarinic acetylcholine receptor Ki 0.9 nM 10.1021/jm9602470
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 2.1 None 10.1021/jm00080a014
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 2.1 None 10.1021/jm00083a016
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 2.1 None 10.1021/jm00107a032
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 2.1 None 10.1021/jm00169a041
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 2.1 None 10.1021/jm00172a003
Rattus norvegicus Muscarinic acetylcholine receptor Ratio 4100.0 None 10.1021/jm00166a008
Rattus norvegicus Muscarinic acetylcholine receptor M1 Kapp 0.00048 uM 10.1016/j.bmc.2020.115820
Rattus norvegicus Muscarinic acetylcholine receptor M1 Kapp 0.001 uM 10.1016/j.bmc.2020.115820
Rattus norvegicus Muscarinic acetylcholine receptor M1 Kd 1.3 nM 10.1021/jm00170a010
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ki 0.26 nM 10.1021/jm00059a009
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ki 0.26 nM 10.1021/jm00114a005
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ki 0.5 nM 10.1021/jm00402a035
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ki 0.79 nM 10.1038/nchembio.2007.55
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ki 1.38 nM 10.1016/j.bmcl.2012.10.132
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ki 1.4 nM 10.1016/j.bmcl.2012.10.132
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ki 2.511886431509572e+17 nM 10.1021/jm9708588
Rattus norvegicus Muscarinic acetylcholine receptor M1 Ratio 2.1 None 10.1016/j.bmc.2020.115820
Rattus norvegicus Muscarinic acetylcholine receptor M2 K 0.5 1.8 nM 10.1021/jm980076u
Rattus norvegicus Muscarinic acetylcholine receptor M2 Kd 2.7 nM 10.1021/jm00170a010
Rattus norvegicus Muscarinic acetylcholine receptor M2 Ki 0.7 nM 10.1021/jm00402a035
Rattus norvegicus Muscarinic acetylcholine receptor M2 Ki 0.76 nM 10.1021/jm00059a009
Rattus norvegicus Muscarinic acetylcholine receptor M2 Ki 0.76 nM 10.1021/jm00114a005
Rattus norvegicus Muscarinic acetylcholine receptor M2 Ki 1.45 nM 10.1038/nchembio.2007.55
Rattus norvegicus Muscarinic acetylcholine receptor M2 Ki 1.6 nM 10.1021/jm00127a020
Rattus norvegicus Muscarinic acetylcholine receptor M2 Ki 7.5 nM 10.1021/jm00402a035
Rattus norvegicus Muscarinic acetylcholine receptor M2 Ki 1.584893192461111e+17 nM 10.1021/jm9708588
Rattus norvegicus Muscarinic acetylcholine receptor M3 Activity nan None 10.1074/jbc.m704875200
Rattus norvegicus Muscarinic acetylcholine receptor M3 K 0.5 0.6 nM 10.1021/jm980076u
Rattus norvegicus Muscarinic acetylcholine receptor M3 Kd 0.63 nM 10.1021/jm00170a010
Rattus norvegicus Muscarinic acetylcholine receptor M3 Ki 0.12 nM 10.1021/jm00059a009
Rattus norvegicus Muscarinic acetylcholine receptor M3 Ki 0.8 nM 10.1038/nchembio.2007.55
Rattus norvegicus Muscarinic acetylcholine receptor M3 Ki 3.9810717055349856e+17 nM 10.1021/jm9708588
Rattus norvegicus Muscarinic acetylcholine receptor M4 K 0.5 0.5 nM 10.1021/jm980076u
Rattus norvegicus Muscarinic acetylcholine receptor M4 Ki 0.52 nM 10.1038/nchembio.2007.55
Rattus norvegicus Muscarinic acetylcholine receptor M5 K 0.5 0.7 nM 10.1021/jm980076u
Rattus norvegicus Muscarinic acetylcholine receptor M5 Ki 0.86 nM 10.1038/nchembio.2007.55
Rattus norvegicus Muscarinic receptor M1 and M2 Ratio 12.0 None 10.1021/jm00402a035
Rattus norvegicus Muscarinic receptor M1 and M2 Selectivity 3.0 None 10.1021/jm00114a005
Rattus norvegicus Muscarinic receptor M1 and M2 Selectivity ratio 1.4 None 10.1021/jm9708588
Rattus norvegicus Muscarinic receptor M2 and M3 Selectivity ratio 0.82 None 10.1021/jm9708588
Rattus norvegicus Neuronal acetylcholine receptor Enhancement 24.0 % 10.1021/jm00147a021
Rattus norvegicus Neuronal acetylcholine receptor Mean enhancement of binding 14.9 None 10.1021/jm00147a021
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Plasma Fu 0.61 None 10.1021/jm901371v
Rattus norvegicus Plasma logFu 0.82 None 10.1016/j.ejmech.2009.06.004
Rattus norvegicus Rattus norvegicus Activity 27.5 % 10.1021/jm900025h
Rattus norvegicus Rattus norvegicus Activity 155.6 mmHg 10.1021/np9703712
Rattus norvegicus Rattus norvegicus Activity 160.9 mmHg 10.1021/np9703712
Rattus norvegicus Rattus norvegicus Activity 368.0 bpm 10.1021/np9703712
Rattus norvegicus Rattus norvegicus Activity 371.0 bpm 10.1021/np9703712
Rattus norvegicus Rattus norvegicus ALB 39300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 274.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 305.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 322.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 335.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 356.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 367.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 45.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 49.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 52.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 55.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 59.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 73.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 81.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 82.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 83.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 88.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 106.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 115.0 U.L-1 10.6019/CHEMBL3885881
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 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 3.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 106.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 110.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 126.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 130.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 136.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 97.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 97.8 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 98.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 523.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 646.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 651.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 675.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 686.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 726.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 211.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 256.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 318.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 358.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 367.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 681.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 28670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 29830000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 33670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 34670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.1 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ED50 0.0043 mg.kg-1 10.1021/jm010480k
Rattus norvegicus Rattus norvegicus ED50 0.0045 mg.kg-1 10.1021/jm00170a010
Rattus norvegicus Rattus norvegicus ED50 0.0052 mg.kg-1 10.1021/jm010480k
Rattus norvegicus Rattus norvegicus ED50 0.0086 mg.kg-1 10.1021/jm00170a010
Rattus norvegicus Rattus norvegicus ED50 0.016 mg.kg-1 10.1021/jm010480k
Rattus norvegicus Rattus norvegicus ED50 0.35 mg.kg-1 10.1021/jm00358a014
Rattus norvegicus Rattus norvegicus ED50 0.453 mg.kg-1 10.1021/jm00170a010
Rattus norvegicus Rattus norvegicus ED50 0.64 mg.kg-1 10.1021/jm00358a014
Rattus norvegicus Rattus norvegicus ED50 1.1 mg.kg-1 10.1021/jm00388a025
Rattus norvegicus Rattus norvegicus ED50 3.0 mg.kg-1 10.1021/jm00125a020
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 26.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 33.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 48.67 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 GLUC 1376.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1426.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1496.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1523.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1550.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1646.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 32.62 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.77 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.63 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.13 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.2 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 128300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 134000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 139000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus I50 2.3e-05 M kg-1 10.1021/jm00388a010
Rattus norvegicus Rattus norvegicus IC50 51.0 nM 10.1021/jm00388a010
Rattus norvegicus Rattus norvegicus ID50 1.84e-09 M 10.1021/jm00385a008
Rattus norvegicus Rattus norvegicus ID50 1.84e-09 M 10.1021/jm00385a028
Rattus norvegicus Rattus norvegicus Inhibition 5.9 % 10.1021/jm00385a028
Rattus norvegicus Rattus norvegicus Kd 1.288 nM 10.1021/jm00117a007
Rattus norvegicus Rattus norvegicus Kd 1.862 nM 10.1021/jm00385a028
Rattus norvegicus Rattus norvegicus Ki 10000.0 nM 10.1021/jm00054a005
Rattus norvegicus Rattus norvegicus LD50 602.7 mg.kg-1 10.1016/j.bmc.2009.04.001
Rattus norvegicus Rattus norvegicus LD50 2100.0 mg.kg-1 10.1016/j.bmc.2009.04.001
Rattus norvegicus Rattus norvegicus LDH 143.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 161.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 169.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 180.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 214.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 237.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 12.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8136.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8930.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 9267.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11257.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12169.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12944.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 92.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 92.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 93.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 93.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.93 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.0 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.07 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.13 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.67 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.73 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 380700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 384300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 384500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 393500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 396700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.83 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.77 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 65.2 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 65.23 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 66.03 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 66.97 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 33.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 72.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 82.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 135.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 194.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 203.67 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 5.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 555.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 572.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 600.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 789.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1220.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1660.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 94.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 96.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 100.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 102.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 106.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 108.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1031670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1077330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1122330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1133670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1162500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1298670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.53 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.56 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.77 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.99 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.08 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.48 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5000000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5330000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5370000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5390000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5410000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5430000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.33 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Relative potency 19.3 None 10.1021/jm00385a008
Rattus norvegicus Rattus norvegicus Relative potency 170.0 None 10.1021/jm00385a028
Rattus norvegicus Rattus norvegicus Relative Potency 100.0 None 10.1021/jm00358a014
Rattus norvegicus Rattus norvegicus SODIUM 141.54 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.6 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.85 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.3 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.13 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 3.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 5.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 9.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 10.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8800.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10080.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12580.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13770.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14030.0 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 20000.0 nM 10.1021/jm00073a016
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
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Inhibition nan % 10.1016/j.bmc.2017.09.018
Rattus norvegicus Trachea EC50 0.98 nM 10.1021/acs.jnatprod.1c00374
Rattus norvegicus Trachea Emax 111.7 % 10.1021/acs.jnatprod.1c00374
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.04488 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
Toxoplasma gondii Toxoplasma gondii IC50 nan None 10.1016/j.bmc.2010.01.068
Trichomonas vaginalis Trichomonas vaginalis IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei Trypanosoma brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma cruzi Trypanosoma cruzi IC50 nan None 10.1016/j.bmc.2010.01.068
None ADMET Binding energy 12.8 kCal mol-1 10.1021/jm00378a021
None ADMET Biotransformation nan None 10.1038/s41586-019-1291-3
None ADMET CL 7.6 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET delta logD -0.9 None 10.1021/jm0000564
None ADMET eLog D -0.16 None 10.1021/jm0200409
None ADMET F 79.0 % 10.1021/jm0000564
None ADMET Fraction ionised 0.996 None 10.1021/jm0200409
None ADMET Fu 0.171 None 10.1021/jm0200409
None ADMET Fu 0.82 None 10.1021/jm0200409
None ADMET Fu 0.82 None 10.1021/jm030408h
None ADMET log10(%HIA +10) 2.033 None 10.1016/j.ejmech.2010.11.005
None ADMET MRT 7.2 hr 10.1124/dmd.108.020479
None ADMET pKa 9.6 None 10.1021/jm00179a017
None ADMET T1/2 4.1 hr 10.1124/dmd.108.020479
None ADMET Vdss 2.0 L.kg-1 10.1021/jm0200409
None ADMET Vdss 2.0 L.kg-1 10.1021/jm030408h
None ADMET Vdss 3.3 L.kg-1 10.1124/dmd.108.020479
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 Hepatotoxicity LTKB_BD DILI severity score nan None 10.1016/j.drudis.2011.05.007
None NON-PROTEIN TARGET Fu 0.61 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.bmc.2010.01.068
None NON-PROTEIN TARGET Potency 5.3 nM None
None NON-PROTEIN TARGET Potency 2111.8 nM None
None NON-PROTEIN TARGET Potency 13324.4 nM None
None NON-PROTEIN TARGET Potency 14950.2 nM None
None No relevant target LogD -1.37 None 10.1021/jm0000564
None No relevant target LogD -0.55 None 10.1021/jm0100990
None No relevant target LogD -0.36 None 10.1021/jm8005228
None No relevant target LogD -0.35 None 10.1021/jm8005228
None No relevant target LogD7.4 -0.66 None 10.6019/CHEMBL3301361
None No relevant target LogD7.4 -0.09 None 10.6019/CHEMBL3301361
None No relevant target log K -0.11 None 10.1021/jm9003945
None No relevant target log K 0.87 None 10.1021/jm9003945
None No relevant target LogP 1.76 None 10.1021/jm00179a017
None No relevant target LogP 1.83 None 10.1021/jm070524a
None No relevant target LogP 1.83 None 10.1021/jm9003945
None No relevant target LogP 1.89 None 10.1021/jm801441s
None No relevant target LogP 2.64 None 10.1021/jm801441s
None No relevant target Log S -2.12 None 10.1016/s0960-894x(00)00172-4
None No relevant target pKa 9.43 None 10.1021/jm9003945
None No relevant target pKa 9.6 None 10.1021/jm00170a010
None No relevant target pKa 9.7 None 10.1021/jm0000564
None No relevant target pKa 9.84 None 10.1007/s11095-013-1232-z
None No relevant target pKa 9.84 None 10.1016/j.ejmech.2009.06.004
None No relevant target pKa 9.84 None 10.1021/jm0200409
None No relevant target pKa 9.84 None 10.1021/jm030408h
None No relevant target pKa 9.84 None 10.1021/jm070524a
None Phospholipidosis Phospholipidosis nan None 10.1021/mp100103e
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Activity 91.8 % 10.1021/jm070524a
None Unchecked Activity nan None 10.1074/jbc.m704875200
None Unchecked IC50 470.0 nM 10.1016/j.ejmech.2015.06.029
None Unchecked IC50 nan None None
None Unchecked Inhibition nan % 10.1021/jm100298d
None Unchecked K0.5 580.0 nM 10.1021/jm980428x
None Unchecked Kd 1.035 nM 10.1016/j.ejmech.2018.04.043
None Unchecked Ki 0.12 nM 10.1016/j.bmc.2013.01.072
None Unchecked Ki 0.371 nM 10.1021/jm00108a030
None Unchecked Ki 0.4571 nM 10.1016/j.bmcl.2009.03.164
None Unchecked Ki 0.545 nM 10.1021/jm00108a030
None Unchecked Ki 0.834 nM 10.1021/jm00108a030
None Unchecked Ki 2.49 nM 10.1016/j.bmc.2013.01.072
None Unchecked Ki 3.981 nM 10.1016/j.bmc.2009.04.001
None Unchecked Ki 26300.0 nM 10.1584/jpestics.17.4_231
None Unchecked Ki nan None None
None Unchecked pKi nan None 10.1016/j.bmc.2009.04.001
None Unchecked Ratio 0.55 None 10.1021/jm00358a014
None Unchecked Ratio 0.64 None 10.1021/jm00384a034
None Unchecked Ratio 0.72 None 10.1021/jm00384a034
None Unchecked Ratio 1.12 None 10.1021/jm00384a034
None Unchecked Ratio 2.1 None 10.1021/jm00397a039
None Unchecked Ratio Ki 0.7 None 10.1016/j.bmcl.2018.12.022
None Unchecked Ratio Ki 1.7 None 10.1016/j.bmcl.2018.12.022
None Unchecked Selectivity 1.3 None 10.1021/jm010480k
None Unchecked Selectivity 3.3 None 10.1021/jm010480k
None Unchecked Selectivity ratio 0.6 None 10.1021/jm9708588

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010520 CN1C2CCC1CC(O)C2.O=C(O)C(CO)c1ccccc1>>CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 R03563
AKRT010600 CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2>>CN1[C@H]2CC[C@@H]1C[C@H](O)C2 TROPINESTERASE-RXN
AKRT010601 CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2>>O=C(O)C(CO)c1ccccc1 TROPINESTERASE-RXN