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Emetine

AlkaPlorer ID: AK012661

Synonym: None

IUPAC Name: (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

Structure

SMILES: CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C21

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InChI: InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1

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InChIKey: AUVVAXYIELKVAI-CKBKHPSWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Mentha aquatica Mentha Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Osteospermum jucundum Osteospermum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Helichrysum heterolasium Helichrysum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Clonostachys rosea Clonostachys Bionectriaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Amauroascus aureus Amauroascus Onygenaceae Onygenales Eurotiomycetes Ascomycota Fungi Eukaryota
Hedera helix Hedera Araliaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Carapichea ipecacuanha Carapichea Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hirsutella nivea Hirsutella Ophiocordycipitaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Ascochyta caulina Ascochyta Didymellaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota
Tragopogon porrifolius Tragopogon Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Coryphantha elephantidens Coryphantha Cactaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptomyces avidinii Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Acodontaster conspicuus Acodontaster Odontasteridae Valvatida Asteroidea Echinodermata Metazoa Eukaryota
Salvia clinopodioides Salvia Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ageratina cylindrica Ageratina Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Helichrysum revolutum Helichrysum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 480.64900000000034

TPSA？: 52.19000000000001

MolLogP？: 4.943400000000005

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Chlorocebus sabaeus Vero IC50 0.42 ug.mL-1 10.1021/np030086k
Chlorocebus sabaeus Vero IC50 176.0 nM 10.1016/j.ejmech.2018.02.021
Cricetulus griseus CHO IC50 0.19 nM 10.1016/j.bmcl.2010.09.130
Cricetulus griseus CHO IC50 16.2 nM 10.1016/j.ejmech.2019.06.069
Cricetulus griseus CHO IC50 19.77 nM 10.1016/j.bmc.2012.06.014
Cricetulus griseus CHO IC50 20.0 nM 10.1021/acs.jmedchem.1c00354
Cricetulus griseus CHO IC50 30.0 nM 10.1021/acs.jnatprod.5b00114
Cricetulus griseus CHO IC50 33.0 nM 10.1039/C8MD00382C
Cricetulus griseus CHO IC50 40.0 nM 10.1016/j.ejmech.2020.112330
Cricetulus griseus CHO IC50 41.0 nM 10.1016/j.ejmech.2013.08.046
Cricetulus griseus CHO IC50 50.0 nM 10.1039/C3MD00310H
Cricetulus griseus CHO IC50 50.0 nM 10.1039/C7MD00063D
Cricetulus griseus CHO IC50 59.0 nM 10.1039/C8MD00608C
Cricetulus griseus CHO IC50 61.0 nM 10.1016/j.bmcl.2014.09.088
Cricetulus griseus CHO IC50 61.0 nM 10.1016/j.bmcl.2016.01.052
Cricetulus griseus CHO IC50 80.0 nM 10.1021/jm2009698
Cricetulus griseus CHO IC50 92.0 nM 10.1016/j.bmcl.2013.12.067
Cricetulus griseus CHO IC50 95.0 nM 10.1021/acs.jmedchem.6b01641
Cricetulus griseus CHO IC50 95.0 nM 10.1021/acs.jmedchem.7b01537
Cricetulus griseus CHO IC50 100.0 nM 10.1016/j.ejmech.2014.01.040
Cricetulus griseus CHO IC50 104.0 nM 10.1016/j.bmc.2015.07.051
Cricetulus griseus CHO IC50 108.0 nM 10.1021/jm9002632
Cricetulus griseus CHO IC50 120.0 nM 10.1016/j.ejmech.2018.09.060
Cricetulus griseus CHO IC50 120.0 nM 10.1021/np900144c
Cricetulus griseus CHO IC50 125.0 nM 10.1016/j.ejmech.2014.12.020
Cricetulus griseus CHO IC50 127.0 nM 10.1016/j.ejmech.2010.11.037
Cricetulus griseus CHO IC50 129.0 nM 10.1016/j.bmc.2013.06.067
Cricetulus griseus CHO IC50 129.0 nM 10.1021/ml400311r
Cricetulus griseus CHO IC50 130.0 nM 10.1016/j.bmcl.2018.03.026
Cricetulus griseus CHO IC50 140.0 nM 10.1016/j.bmc.2011.11.060
Cricetulus griseus CHO IC50 170.0 nM 10.1016/j.bmcl.2012.10.094
Cricetulus griseus CHO IC50 178.0 nM 10.1016/j.bmcl.2016.11.077
Cricetulus griseus CHO IC50 190.0 nM 10.1016/j.bmcl.2011.01.103
Cricetulus griseus CHO IC50 290.0 nM 10.1016/j.bmcl.2020.127581
Cricetulus griseus CHO IC50 300.0 nM 10.1016/j.ejmech.2012.07.037
Cricetulus griseus CHO IC50 330.0 nM 10.1016/j.bmcl.2012.12.029
Cricetulus griseus CHO IC50 400.0 nM 10.1039/C3MD20377H
Cricetulus griseus CHO IC50 400.0 nM 10.1039/C5MD00343A
Cricetulus griseus CHO IC50 950.0 nM 10.1021/acsmedchemlett.1c00328
Cricetulus griseus CHO IC50 124830.0 nM 10.1016/j.bmc.2012.10.019
Cricetulus griseus CHO Log CR 1.46 None 10.1021/jm00169a014
Cricetulus griseus CHO-K1 IC50 20.0 nM 10.1039/C9MD00161A
Cricetulus griseus CHO-K1 IC50 400.0 nM 10.1016/j.bmc.2020.115530
Cryptosporidium parvum Cryptosporidium parvum IC50 nan None 10.1016/j.bmc.2010.01.068
Entamoeba histolytica Entamoeba histolytica IC50 1.05 ug.mL-1 10.1021/np000442o
Entamoeba histolytica Entamoeba histolytica IC50 2180.0 nM 10.1021/acs.jnatprod.5b00488
Entamoeba histolytica Entamoeba histolytica IC50 2180.0 nM 10.1021/np400964w
Entamoeba histolytica Entamoeba histolytica IC50 2200.0 nM 10.1021/acs.jnatprod.8b00952
Entamoeba histolytica Entamoeba histolytica IC50 nan None 10.1016/j.bmc.2010.01.068
Entamoeba histolytica Entamoeba histolytica MIC 2900.0 nM 10.1021/np990038t
Giardia intestinalis Giardia intestinalis IC50 0.41 ug.mL-1 10.1021/np000442o
Giardia intestinalis Giardia intestinalis IC50 800.0 nM 10.1021/acs.jnatprod.8b00952
Giardia intestinalis Giardia intestinalis IC50 830.0 nM 10.1021/acs.jnatprod.5b00488
Giardia intestinalis Giardia intestinalis IC50 830.0 nM 10.1021/np400964w
Homo sapiens A549 IC50 40.0 nM 10.1021/jm061366a
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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) 46.09 % 10.6019/CHEMBL5209801
Homo sapiens Adhesion G-protein coupled receptor F1 %Inhib (Mean) 87.68 % 10.6019/CHEMBL5209801
Homo sapiens Adhesion G-protein coupled receptor F1 %Inhib (Mean) 110.46 % 10.6019/CHEMBL5209801
Homo sapiens Adhesion G-protein coupled receptor F1 %Inhib (Mean) 115.75 % 10.6019/CHEMBL5209801
Homo sapiens Adhesion G-protein coupled receptor F1 %Max (Mean) -20.04 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-1a adrenergic receptor AC50 2510.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 6000.0 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-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 90.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 1195.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 38.0 nM None
Homo sapiens Alpha-2a adrenergic receptor %Inhib (Mean) 88.05 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2a adrenergic receptor %Inhib (Mean) 99.6 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2a adrenergic receptor %Inhib (Mean) 107.27 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2a adrenergic receptor %Inhib (Mean) 111.34 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2a adrenergic receptor Ki 14.0 nM None
Homo sapiens Alpha-2a adrenergic receptor %Max (Mean) -7.6 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2b adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 AC50 230.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 182.0 nM None
Homo sapiens Alpha-2c adrenergic receptor Ki 26.0 nM 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) 96.62 % 10.6019/CHEMBL5209801
Homo sapiens Apelin receptor %Inhib (Mean) 97.05 % 10.6019/CHEMBL5209801
Homo sapiens Apelin receptor %Inhib (Mean) 123.94 % 10.6019/CHEMBL5209801
Homo sapiens Apelin receptor %Inhib (Mean) 135.05 % 10.6019/CHEMBL5209801
Homo sapiens Apelin receptor %Max (Mean) -5.35 % 10.6019/CHEMBL5209801
Homo sapiens Aryl hydrocarbon receptor nuclear translocator Activity nan None 10.1021/np050029m
Homo sapiens Ataxin-2 Potency 251.2 nM None
Homo sapiens Ataxin-2 Potency 281.8 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 259.2 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 1299.0 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor %Inhib (Mean) 66.14 % 10.6019/CHEMBL5209801
Homo sapiens Beta-2 adrenergic receptor %Inhib (Mean) 86.59 % 10.6019/CHEMBL5209801
Homo sapiens Beta-2 adrenergic receptor %Inhib (Mean) 88.03 % 10.6019/CHEMBL5209801
Homo sapiens Beta-2 adrenergic receptor %Inhib (Mean) 92.5 % 10.6019/CHEMBL5209801
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor %Max (Mean) -3.55 % 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 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 135000.0 nM 10.1093/toxsci/kfq269
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 -0.85 C None
Homo sapiens C5a anaphylatoxin chemotactic receptor %Inhib (Mean) 80.41 % 10.6019/CHEMBL5209801
Homo sapiens C5a anaphylatoxin chemotactic receptor %Inhib (Mean) 89.97 % 10.6019/CHEMBL5209801
Homo sapiens C5a anaphylatoxin chemotactic receptor %Inhib (Mean) 91.34 % 10.6019/CHEMBL5209801
Homo sapiens C5a anaphylatoxin chemotactic receptor %Inhib (Mean) 101.42 % 10.6019/CHEMBL5209801
Homo sapiens C5a anaphylatoxin chemotactic receptor %Max (Mean) -8.748 % 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 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 0.06 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens CWR22R IC50 30.8 nM 10.1016/j.bmc.2017.11.015
Homo sapiens C-X3-C chemokine receptor 1 %Inhib (Mean) 45.7 % 10.6019/CHEMBL5209801
Homo sapiens C-X3-C chemokine receptor 1 %Inhib (Mean) 80.59 % 10.6019/CHEMBL5209801
Homo sapiens C-X3-C chemokine receptor 1 %Inhib (Mean) 88.27 % 10.6019/CHEMBL5209801
Homo sapiens C-X3-C chemokine receptor 1 %Inhib (Mean) 94.25 % 10.6019/CHEMBL5209801
Homo sapiens C-X3-C chemokine receptor 1 %Max (Mean) -2.369 % 10.6019/CHEMBL5209801
Homo sapiens Cyclin-dependent kinase 2 Delta TM 0.49 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None None
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 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
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 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 44668.4 nM None
Homo sapiens Dopamine D1 receptor AC50 15730.0 nM 10.1038/s41467-023-40064-9
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 AC50 16000.0 nM 10.1038/s41467-023-40064-9
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 DU-145 IC50 24.0 nM 10.1016/j.bmc.2015.06.072
Homo sapiens DU-145 IC50 25.0 nM 10.1016/j.bmc.2015.06.072
Homo sapiens DU-145 IC50 33.0 nM 10.1016/j.bmc.2015.06.072
Homo sapiens DU-145 IC50 60.0 nM 10.1021/jm061366a
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor 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 -0.75 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.71 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.63 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.61 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.47 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate -0.4 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast Growth Rate 0.68 None 10.6019/CHEMBL5058564
Homo sapiens Fibroblast growth factor receptor 3 Delta TM 0.33 C None
Homo sapiens Flap endonuclease 1 Potency 29934.9 nM 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 Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon-like peptide 1 receptor %Inhib (Mean) 65.52 % 10.6019/CHEMBL5209801
Homo sapiens Glucagon-like peptide 1 receptor %Inhib (Mean) 85.63 % 10.6019/CHEMBL5209801
Homo sapiens Glucagon-like peptide 1 receptor %Inhib (Mean) 90.54 % 10.6019/CHEMBL5209801
Homo sapiens Glucagon-like peptide 1 receptor %Inhib (Mean) 96.89 % 10.6019/CHEMBL5209801
Homo sapiens Glucagon-like peptide 1 receptor %Max (Mean) -1.08 % 10.6019/CHEMBL5209801
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glucose-dependent insulinotropic receptor %Inhib (Mean) 70.66 % 10.6019/CHEMBL5209801
Homo sapiens Glucose-dependent insulinotropic receptor %Inhib (Mean) 92.57 % 10.6019/CHEMBL5209801
Homo sapiens Glucose-dependent insulinotropic receptor %Inhib (Mean) 93.33 % 10.6019/CHEMBL5209801
Homo sapiens Glucose-dependent insulinotropic receptor %Inhib (Mean) 96.78 % 10.6019/CHEMBL5209801
Homo sapiens Glucose-dependent insulinotropic receptor %Max (Mean) 1.126 % 10.6019/CHEMBL5209801
Homo sapiens Glucose transporter IC50 108.0 nM 10.6019/CHEMBL3433997
Homo sapiens Glucose transporter Inhibition 96.79 % 10.6019/CHEMBL3433997
Homo sapiens Glycogen synthase kinase-3 beta Delta TM -0.06 C None
Homo sapiens G-protein coupled receptor 120 %Inhib (Mean) 45.43 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 120 %Inhib (Mean) 78.8 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 120 %Inhib (Mean) 80.56 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 120 %Inhib (Mean) 89.37 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 120 %Max (Mean) -1.7 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 35 %Inhib (Mean) 122.14 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 35 %Max (Mean) -18.53 % 10.6019/CHEMBL5209801
Homo sapiens HEK293 CC50 71.0 nM 10.1016/j.bmcl.2018.02.020
Homo sapiens HEK293 CC50 180.0 nM 10.1021/acs.jmedchem.9b00775
Homo sapiens HEK293 Potency 183.5 nM None
Homo sapiens HEK-293T Growth Rate -0.77 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.71 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.68 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.65 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.64 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.56 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.51 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate -0.45 None 10.6019/CHEMBL5058564
Homo sapiens HEK-293T Growth Rate 0.89 None 10.6019/CHEMBL5058564
Homo sapiens HeLa Activity 0.013 % 10.1016/j.bmcl.2021.127855
Homo sapiens HeLa IC50 13.0 nM 10.1016/j.bmcl.2019.126911
Homo sapiens HeLa IC50 15.0 nM 10.1039/C8MD00480C
Homo sapiens HeLa IC50 370.0 nM 10.1016/j.ejmech.2016.02.056
Homo sapiens HeLa IC50 400.0 nM 10.1039/C8MD00319J
Homo sapiens HeLa Inhibition nan % 10.1038/nchembio.2007.53
Homo sapiens HepG2 Inhibition 43.0 % 10.1038/nature09107
Homo sapiens HERG AC50 9100.0 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 670.2 nM None
Homo sapiens HL-60 IC50 0.38 ug.mL-1 10.1021/np030086k
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens HT-29 Activity nan None 10.1021/np50063a010
Homo sapiens HT-29 IC50 33.0 nM 10.1021/np50063a010
Homo sapiens HT-29 IZ 25.0 mm 10.1021/np50063a010
Homo sapiens HT-29 IZ 35.0 mm 10.1021/np50063a010
Homo sapiens Huh-7 CC50 116.3 nM 10.1073/pnas.0802982105
Homo sapiens Hypoxia-inducible factor 1 alpha Activity nan None 10.1021/np050029m
Homo sapiens Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha Activity nan None 10.1021/np050029m
Homo sapiens Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha IC50 83.0 nM 10.1021/np050029m
Homo sapiens Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha IC50 110.0 nM 10.1021/np050029m
Homo sapiens Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha Inhibition 18.0 % 10.1021/np050029m
Homo sapiens Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha Inhibition 50.0 % 10.1021/np050029m
Homo sapiens Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha MIC 300.0 nM 10.1021/np050029m
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens KB ED50 1.0 ug ml-1 10.1021/np50022a010
Homo sapiens KB IC50 40.0 nM 10.1021/jm061366a
Homo sapiens KB IC50 56.0 nM 10.1021/np000285t
Homo sapiens Leukocyte adhesion glycoprotein LFA-1 alpha IC50 50.0 ug.mL-1 10.1021/np030086k
Homo sapiens Leukocyte adhesion glycoprotein LFA-1 alpha MIC 0.26 ug.mL-1 10.1021/np030086k
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) 63.15 % 10.6019/CHEMBL5209801
Homo sapiens Lipoxin A4 receptor %Inhib (Mean) 81.28 % 10.6019/CHEMBL5209801
Homo sapiens Lipoxin A4 receptor %Inhib (Mean) 85.4 % 10.6019/CHEMBL5209801
Homo sapiens Lipoxin A4 receptor %Inhib (Mean) 89.6 % 10.6019/CHEMBL5209801
Homo sapiens Lipoxin A4 receptor %Max (Mean) -3.2 % 10.6019/CHEMBL5209801
Homo sapiens LNCaP IC50 27.0 nM 10.1016/j.bmc.2015.06.072
Homo sapiens LNCaP IC50 31.6 nM 10.1016/j.bmc.2017.11.015
Homo sapiens LNCaP IC50 37.0 nM 10.1016/j.bmc.2015.06.072
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 0.22 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 MDA-MB-231 Activity nan None 10.1016/j.bmc.2017.11.015
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 MES-SA Activity 0.88 None 10.1021/jm0491851
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 Motilin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 5990.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 17999.9 nM 10.1038/s41467-023-40064-9
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 M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
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 Neuronal acetylcholine receptor protein alpha-4 subunit AC50 30000.0 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 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 Niemann-Pick C1 protein Potency 58047.9 nM 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 Nuclear factor erythroid 2-related factor 2 Potency 1299.5 nM None
Homo sapiens Panel NCI-60 (60 carcinoma cell lines) GI50 27.0 nM 10.1021/acs.jnatprod.0c00031
Homo sapiens PC-3 Activity nan None 10.1016/j.bmc.2017.11.015
Homo sapiens PC-3 IC50 27.0 nM 10.1016/j.bmc.2015.06.072
Homo sapiens PC-3 IC50 29.0 nM 10.1016/j.bmc.2015.06.072
Homo sapiens PC-3 IC50 29.43 nM 10.1016/j.bmc.2017.11.015
Homo sapiens PC-3 IC50 35.0 nM 10.1016/j.bmc.2015.06.072
Homo sapiens Peregrin Delta TM -1.9 C None
Homo sapiens Peroxisome proliferator-activated receptor gamma AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens P-glycoprotein 1 Activity nan None 10.1016/j.bbrc.2004.01.156
Homo sapiens P-glycoprotein 1 Activity nan None None
Homo sapiens P-glycoprotein 1 IC50 2400.0 nM 10.1006/bbrc.2001.6000
Homo sapiens P-glycoprotein 1 IC50 9200.0 nM 10.1006/bbrc.2001.6000
Homo sapiens P-glycoprotein 1 IC50 9600.0 nM 10.1006/bbrc.2001.6000
Homo sapiens P-glycoprotein 1 IC50 35100.0 nM 10.1006/bbrc.2001.6000
Homo sapiens P-glycoprotein 1 IC50 115600.0 nM 10.1006/bbrc.2001.6000
Homo sapiens P-glycoprotein 1 IC50 130300.0 nM 10.1006/bbrc.2001.6000
Homo sapiens P-glycoprotein 1 IC50 207100.0 nM 10.1006/bbrc.2001.6000
Homo sapiens P-glycoprotein 1 Km 6000.0 nM 10.1074/jbc.271.6.3163
Homo sapiens P-glycoprotein 1 % maximum response 3.39 % None
Homo sapiens P-glycoprotein 1 Papp 9.61 nm/s None
Homo sapiens P-glycoprotein 1 Papp 281.0 nm/s None
Homo sapiens P-glycoprotein 1 Ratio_ATPase activity 2.54 None None
Homo sapiens P-glycoprotein 1 Ratio_Papp 29.2 None 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 4D 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 Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
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 Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Putative hydrolase RBBP9 IC50 7800.0 nM 10.1016/j.bmcl.2010.02.011
Homo sapiens Putative hydrolase RBBP9 Inhibition 51.0 % 10.1016/j.bmcl.2010.02.011
Homo sapiens Putative hydrolase RBBP9 Inhibition 62.0 % 10.1016/j.bmcl.2010.02.011
Homo sapiens Putative hydrolase RBBP9 Inhibition nan % 10.1016/j.bmcl.2010.02.011
Homo sapiens Ras-related protein Rab-9A Potency 18356.4 nM 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 0.04 C None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 1849.3 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 5211.9 nM 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 22740.0 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 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 SH-SY5Y Potency 251.2 nM None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SNB-19 CC50 86.0 nM 10.1021/acs.jmedchem.9b00775
Homo sapiens Solute carrier family 22 member 5 Activity 16.6 % None
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Inhib (Mean) 56.31 % 10.6019/CHEMBL5209801
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Inhib (Mean) 90.56 % 10.6019/CHEMBL5209801
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Inhib (Mean) 98.33 % 10.6019/CHEMBL5209801
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Inhib (Mean) 105.1 % 10.6019/CHEMBL5209801
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Max (Mean) -11.97 % 10.6019/CHEMBL5209801
Homo sapiens T47D Activity 58.8 pg/ml 10.1021/np050029m
Homo sapiens T47D Activity nan None 10.1021/np050029m
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 -0.9 C None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Type-1 angiotensin II receptor %Inhib (Mean) 83.94 % 10.6019/CHEMBL5209801
Homo sapiens Type-1 angiotensin II receptor %Inhib (Mean) 100.33 % 10.6019/CHEMBL5209801
Homo sapiens Type-1 angiotensin II receptor %Inhib (Mean) 100.75 % 10.6019/CHEMBL5209801
Homo sapiens Type-1 angiotensin II receptor %Inhib (Mean) 109.58 % 10.6019/CHEMBL5209801
Homo sapiens Type-1 angiotensin II receptor %Max (Mean) -4.252 % 10.6019/CHEMBL5209801
Homo sapiens Tyrosine-protein kinase ABL Delta TM -0.07 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 Tyrosyl-DNA phosphodiesterase 1 Potency 149.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 188.4 nM None
Homo sapiens U2OS Growth Rate -1.0 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.0 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.17 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.21 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.25 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.43 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.49 None 10.6019/CHEMBL5058564
Homo sapiens U2OS Growth Rate 0.89 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 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens ZR-75-1 IC50 100.0 nM 10.1021/jm061366a
Human coronavirus OC43 Human coronavirus OC43 EC50 300.0 nM 10.1021/acs.jmedchem.0c00626
Leishmania amazonensis Leishmania amazonensis IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania donovani Leishmania donovani IC50 0.03 ug.mL-1 10.1021/np030086k
Leishmania donovani Leishmania donovani IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania donovani Leishmania donovani IC90 0.13 ug.mL-1 10.1021/np030086k
Leishmania infantum Leishmania infantum IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania major Dihydroorotate dehydrogenase (fumarate) IC50 1000000.0 nM 10.1016/j.ejmech.2018.08.033
Leishmania major Dihydroorotate dehydrogenase (fumarate) IC50 1074000.0 nM 10.1016/j.ejmech.2018.08.033
Leishmania major Leishmania major IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania mexicana Glucose transporter IC50 81.0 nM 10.6019/CHEMBL3433997
Leishmania mexicana Glucose transporter Inhibition 90.27 % 10.6019/CHEMBL3433997
Leishmania mexicana Leishmania mexicana IC50 nan None 10.1016/j.bmc.2010.01.068
Macaca mulatta LLC-MK2 CC50 3630.0 nM 10.1021/acs.jmedchem.0c00626
Mesocricetus auratus BHK-21 CC50 2690.0 nM 10.1021/acs.jmedchem.0c00626
Mus musculus Kappa opioid receptor Activity nan None 10.1021/acs.jnatprod.1c00301
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Monoamine oxidase B Activity nan None 10.1021/jm800656v
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2017.11.015
Mus musculus Mus musculus MTD 8.0 mg kg-1 10.1016/j.bmc.2017.11.015
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus P388 IC50 7.0 nM 10.1021/np50063a010
Mus musculus P388 IZ 20.0 mm 10.1021/np50063a010
Mus musculus P388 IZ 40.0 mm 10.1021/np50063a010
Mus musculus Transient receptor potential cation channel subfamily M member 7 Inhibition nan % None
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 Hexose transporter 1 IC50 90.0 nM 10.6019/CHEMBL3433997
Plasmodium falciparum Hexose transporter 1 Inhibition 94.03 % 10.6019/CHEMBL3433997
Plasmodium falciparum Plasmodium falciparum EC50 10.15 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum EC50 22.94 nM 10.1073/pnas.0802982105
Plasmodium falciparum Plasmodium falciparum IC50 0.0727 ug.mL-1 10.1021/np030086k
Plasmodium falciparum Plasmodium falciparum IC50 0.078 ug.mL-1 10.1021/np030086k
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmc.2015.07.051
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmcl.2010.09.130
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmcl.2011.01.103
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmcl.2012.10.094
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmcl.2013.12.067
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmcl.2016.01.052
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmcl.2016.05.024
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmcl.2018.03.026
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.ejmech.2014.11.016
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.ejmech.2016.07.027
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.ejmech.2018.02.021
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1021/acs.jmedchem.7b01537
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1039/C3MD20377H
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1039/C7MD00063D
Plasmodium falciparum Plasmodium falciparum Inhibition 0.0 % 10.1038/nature09107
Plasmodium falciparum Plasmodium falciparum Inhibition 99.0 % 10.1038/nature09107
Plasmodium falciparum Plasmodium falciparum Inhibition 100.0 % 10.1038/nature09107
Plasmodium falciparum Plasmodium falciparum Ratio IC50 0.4 None 10.1016/j.bmcl.2010.09.130
Plasmodium falciparum Plasmodium falciparum Ratio IC50 nan None 10.1016/j.bmcl.2011.01.103
Plasmodium falciparum Plasmodium falciparum Ratio IC50 nan None 10.1016/j.bmcl.2012.10.094
Plasmodium falciparum Plasmodium falciparum Ratio IC50 nan None 10.1016/j.bmcl.2013.12.067
Plasmodium falciparum Plasmodium falciparum Ratio IC50 nan None 10.1021/acs.jmedchem.7b01537
Plasmodium falciparum Plasmodium falciparum XC50 213.6 nM 10.1038/nature09107
Plasmodium yoelii Plasmodium yoelii Activity nan None 10.1126/science.1211936
Plasmodium yoelii Plasmodium yoelii IC50 7.49 nM 10.1126/science.1211936
Plasmodium yoelii Plasmodium yoelii Schizont size 26.51 um 10.1126/science.1211936
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 6527.0 nM None
Rattus norvegicus Alpha-1a adrenergic receptor Ki 2642.0 nM None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 1934.0 nM None
Rattus norvegicus Alpha-1b adrenergic receptor Ki 1071.0 nM None
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Rattus norvegicus ALB 38300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40200.0 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 41300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 253.2 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 293.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 316.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 325.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 344.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 365.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 368.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 392.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 43.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 45.2 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 45.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 53.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 56.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 57.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 60.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 66.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 82.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 93.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 96.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 97.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 99.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 102.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 124.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 131.0 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 1.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 123.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 133.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 136.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 143.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 155.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 165.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 166.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 176.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 526.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 622.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 630.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 640.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 656.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 658.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 666.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 725.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 27000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 27170000.0 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 31800000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 32170000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 34670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 50.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 77.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 92.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 107.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 109.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 111.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 124.6 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 235.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.6 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 2.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1432.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1786.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1803.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1816.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1820.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1953.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 2688.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 2726.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.23 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.08 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.65 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.3 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.68 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 38.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 38.76 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 39.13 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 126300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 132200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 134000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 136700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 139700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 141700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 141800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 120.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 172.6 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 179.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 240.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 312.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 343.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 380.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 467.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.8 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 9173.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 9674.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11168.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11430.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12370.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12568.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12777.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 16602.4 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 80.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 82.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 82.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 85.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 85.6 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 21.32 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 21.37 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 21.77 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 21.93 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 22.08 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 22.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 22.27 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 22.68 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 358700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 361000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 362000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 363000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 365800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 366300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 366700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 58.24 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.2 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.8 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.77 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.83 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.85 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.07 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.88 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 141.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 226.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 240.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 280.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 510.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 653.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 704.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 725.4 cells.uL-1 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 MONOLE 2.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 3.6 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 3.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 4.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 5.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.2 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 13.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 14.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 15.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 695.83 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 875.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 916.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1414.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1811.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1901.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1987.6 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 2365.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 108.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 115.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 118.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 124.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 131.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 139.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 141.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 149.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 755670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 838670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 942000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1020500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1026330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1110670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1167330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1306200.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.87 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.91 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.15 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.28 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.48 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.56 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.76 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 67000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5800000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5830000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6030000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6200000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6230000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6420000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6530000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6660000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.03 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.9 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.38 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.68 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.53 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.87 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 11.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.6 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 17.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 19.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 21.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 24.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 24.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 28.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10470.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11830.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12200.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13930.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13980.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14550.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15720.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 19440.0 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 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 Thioredoxin reductase 1, cytoplasmic Potency 3548.1 nM None
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 920.0 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 15.34 % 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 -0.33 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 64.9 % 10.1016/j.bmc.2020.115757
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 40.0 nM 10.1016/j.ejmech.2018.08.033
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 congolense Trypanosoma congolense IC50 430.0 nM 10.1016/j.ejmech.2018.08.033
Trypanosoma cruzi Trypanosoma cruzi IC50 nan None 10.1016/j.bmc.2010.01.068
Zika virus NS5 EC50 8.74 nM 10.1021/acs.jmedchem.9b00775
Zika virus NS5 EC50 52.9 nM 10.1021/acs.jmedchem.9b00775
None ADMET IC50 50.0 nM 10.1016/j.bmcl.2016.05.024
None ADMET IC50 50.0 nM 10.1016/j.ejmech.2014.11.016
None ADMET IC50 nan None 10.1021/np000285t
None ADMET Papp 2.0 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 2.4 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 3.6 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 6.0 ucm/s 10.1124/dmd.110.034629
None ADMET Ratio 0.6 None 10.1124/dmd.110.034629
None ADMET Ratio 2.6 None 10.1124/dmd.110.034629
None ADMET Ratio 53.0 None 10.1124/dmd.110.034629
None ADMET Ratio 66.0 None 10.1124/dmd.110.034629
None ADMET Ratio 78.0 None 10.1124/dmd.110.034629
None NON-PROTEIN TARGET IC50 50.0 nM 10.1016/j.ejmech.2016.07.027
None NON-PROTEIN TARGET IC50 290.0 nM 10.1016/j.ejmech.2016.07.027
None NON-PROTEIN TARGET IC50 2000.0 nM 10.1021/jm061366a
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.bmc.2010.01.068
None No relevant target IC50 nan None 10.1016/j.bmc.2015.07.051
None No relevant target LogD 3.24 None 10.1021/jm00169a014
None No relevant target Log Kmemb -2.6 None 10.1021/jm0309001
None Phospholipidosis Phospholipidosis nan None 10.1021/ci6004542
None Phospholipidosis Phospholipidosis nan None 10.1021/mp100103e
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Ac50 17.78 uM None
None Unchecked Ac50 25.12 uM None
None Unchecked AC50 17782.8 nM None
None Unchecked AC50 25118.9 nM None
None Unchecked Activity nan None 10.1021/np050029m
None Unchecked EC50 1430.0 nM 10.1021/acs.jmedchem.0c00626
None Unchecked IC50 1.0 nM None
None Unchecked IC50 2.28 nM None
None Unchecked IC50 8.31 nM None
None Unchecked IC50 11.58 nM None
None Unchecked IC50 16.34 nM None
None Unchecked IC50 22.1 nM None
None Unchecked IC50 32.66 nM None
None Unchecked IC50 61.47 nM None
None Unchecked IC50 947.7 nM None
None Unchecked IC50 2356.0 nM None
None Unchecked IC50 10000.0 nM None
None Unchecked IC50 nan None 10.1016/j.bmcl.2016.01.052
None Unchecked IC50 nan None 10.1021/acs.jmedchem.7b01537
None Unchecked IC50 nan None None
None Unchecked IFI 9.86 % 10.1038/nature09107
None Unchecked IFI 23.81 % 10.1073/pnas.0802982105
None Unchecked Inhibition 69.0 % 10.1021/np050029m
None Unchecked Inhibition nan % 10.1016/j.bmcl.2016.01.052
None Unchecked Ki 2094.0 nM None
None Unchecked Ki nan None None
None Unchecked Potency 100.0 nM None
None Unchecked Potency 223.9 nM None
None Unchecked Potency 326.3 nM None
None Unchecked Potency 398.1 nM None
None Unchecked Potency 631.0 nM None
None Unchecked Potency 1412.5 nM None
None Unchecked Potency 9200.0 nM None
None Unchecked Ratio 1.53 None 10.1021/np030086k
None Unchecked Ratio CC50/EC50 2.5 None 10.1021/acs.jmedchem.0c00626
None Unchecked Ratio CC50/EC50 9.0 None 10.1021/acs.jmedchem.0c00626
None Unchecked Ratio IC50 5.0 None 10.1021/np030086k
None Unchecked Ratio IC50 6.0 None 10.1021/np030086k
None Unchecked Ratio IC50 nan None 10.1016/j.bmcl.2010.09.130
None Unchecked Ratio IC50 nan None 10.1016/j.bmcl.2012.10.094
None Unchecked Ratio IC50 nan None 10.1016/j.bmcl.2013.12.067
None Unchecked Ratio IC50 nan None 10.1016/j.bmcl.2016.01.052
None Unchecked Ratio IC50 nan None 10.1016/j.bmcl.2016.05.024
None Unchecked Ratio IC50 nan None 10.1016/j.bmcl.2018.03.026
None Unchecked Ratio IC50 nan None 10.1016/j.ejmech.2014.11.016
None Unchecked Ratio IC50 nan None 10.1016/j.ejmech.2016.07.027
None Unchecked Ratio IC50 nan None 10.1016/j.ejmech.2018.02.021
None Unchecked Ratio IC50 nan None 10.1021/acs.jmedchem.7b01537
None Unchecked Ratio IC50 nan None 10.1021/np000285t
None Unchecked Ratio IC50 nan None 10.1039/C3MD20377H
None Unchecked Selectivity Index nan None 10.1016/j.bmcl.2011.01.103

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010235 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc21.C[SAH]>>CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 RXN-13796