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Aminoglutethimide

AlkaPlorer ID: AK322381

Synonym: None

IUPAC Name: 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione

Structure

SMILES: CCC1(C2=CC=C(N)C=C2)CCC(O)=NC1=O

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InChI: InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)

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InChIKey: ROBVIMPUHSLWNV-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 232.283

TPSA？: 75.68

MolLogP？: 2.1935

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 5.09 % 10.6019/CHEMBL4513141
Bos taurus Cytochrome P450 11A1 IC50 29000.0 nM 10.1021/jm00090a010
Bos taurus Cytochrome P450 11A1 IC50 30000.0 nM 10.1021/jm00392a004
Bos taurus Cytochrome P450 11A1 IC50 30000.0 nM 10.1021/jm00400a014
Bos taurus Cytochrome P450 11A1 Inhibition 14.0 % 10.1021/jm00355a011
Bos taurus Cytochrome P450 11A1 Inhibition 57.0 % 10.1021/jm00090a010
Bos taurus Cytochrome P450 11A1 Inhibition 57.0 % 10.1021/jm00158a007
Bos taurus Cytochrome P450 11A1 Inhibition 83.0 % 10.1021/jm00154a016
Bos taurus Cytochrome P450 11A1 Inhibition 85.0 % 10.1021/jm00355a011
Bos taurus Cytochrome P450 11A1 Inhibition 85.0 % 10.1021/jm00380a009
Bos taurus Cytochrome P450 11A1 Relative potency 1.0 None 10.1021/jm00090a010
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans Inhibition 2.63 % 10.6019/CHEMBL4513141
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
Cryptococcus neoformans Cryptococcus neoformans Inhibition -5.32 % 10.6019/CHEMBL4513141
Cryptosporidium parvum Cryptosporidium parvum IC50 nan None 10.1016/j.bmc.2010.01.068
Entamoeba histolytica Entamoeba histolytica IC50 nan None 10.1016/j.bmc.2010.01.068
Escherichia coli Escherichia coli Inhibition 2.02 % 10.6019/CHEMBL4513141
Homo sapiens 786-0 GI50 3419794.43 nM None
Homo sapiens A498 GI50 2312064.79 nM None
Homo sapiens A549 GI50 2877398.41 nM None
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens ACHN GI50 2488857.32 nM 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 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 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 Ki nan None None
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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
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 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 Ki nan None None
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 1000000.0 nM 10.1124/dmd.112.047068
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 BT-549 GI50 1663412.65 nM None
Homo sapiens CAKI-1 GI50 1458814.26 nM None
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 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 CCRF-CEM GI50 665273.16 nM 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 COLO 205 GI50 1465547.84 nM None
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 11A1 IC50 80000.0 nM 10.1021/jm00106a038
Homo sapiens Cytochrome P450 17A1 IC50 60000.0 nM 10.1021/jm00108a013
Homo sapiens Cytochrome P450 19A1 AC50 15.7 % 10.1021/np8000255
Homo sapiens Cytochrome P450 19A1 Activity 7.0 % 10.1021/np050513p
Homo sapiens Cytochrome P450 19A1 IC50 5.2 nM 10.1016/j.bmcl.2010.03.113
Homo sapiens Cytochrome P450 19A1 IC50 250.0 mg kg-1 10.1021/jm00173a001
Homo sapiens Cytochrome P450 19A1 IC50 270.0 nM 10.1021/jm070109i
Homo sapiens Cytochrome P450 19A1 IC50 270.0 nM 10.1021/jm801335z
Homo sapiens Cytochrome P450 19A1 IC50 1700.0 nM 10.1021/jm00106a038
Homo sapiens Cytochrome P450 19A1 IC50 1900.0 nM 10.1021/jm00062a012
Homo sapiens Cytochrome P450 19A1 IC50 1900.0 nM 10.1021/jm00108a013
Homo sapiens Cytochrome P450 19A1 IC50 2800.0 nM 10.1016/j.bmc.2005.03.050
Homo sapiens Cytochrome P450 19A1 IC50 2800.0 nM 10.1021/jm0306024
Homo sapiens Cytochrome P450 19A1 IC50 5200.0 nM 10.1016/s0960-894x(02)00072-0
Homo sapiens Cytochrome P450 19A1 IC50 5200.0 nM 10.1016/s0960-894x(02)00565-6
Homo sapiens Cytochrome P450 19A1 IC50 5800.0 nM 10.1016/j.ejmech.2011.03.043
Homo sapiens Cytochrome P450 19A1 IC50 6130.0 nM 10.1021/jm00154a016
Homo sapiens Cytochrome P450 19A1 IC50 6400.0 nM 10.1016/j.ejmech.2014.11.047
Homo sapiens Cytochrome P450 19A1 IC50 6400.0 nM 10.1021/np010288l
Homo sapiens Cytochrome P450 19A1 IC50 7000.0 nM 10.1016/j.bmcl.2017.01.062
Homo sapiens Cytochrome P450 19A1 IC50 8000.0 nM 10.1021/jm00392a004
Homo sapiens Cytochrome P450 19A1 IC50 8000.0 nM 10.1021/jm00400a014
Homo sapiens Cytochrome P450 19A1 IC50 8300.0 nM 10.1021/jm00154a016
Homo sapiens Cytochrome P450 19A1 IC50 9000.0 nM 10.1016/j.bmcl.2017.01.062
Homo sapiens Cytochrome P450 19A1 IC50 10000.0 nM 10.1016/j.ejmech.2009.05.003
Homo sapiens Cytochrome P450 19A1 IC50 10000.0 nM 10.1016/j.ejmech.2022.114658
Homo sapiens Cytochrome P450 19A1 IC50 10000.0 nM 10.1021/acs.jmedchem.5b01281
Homo sapiens Cytochrome P450 19A1 IC50 13000.0 nM 10.1021/jm00108a013
Homo sapiens Cytochrome P450 19A1 IC50 14000.0 nM 10.1021/jm00392a004
Homo sapiens Cytochrome P450 19A1 IC50 14000.0 nM 10.1021/jm00400a014
Homo sapiens Cytochrome P450 19A1 IC50 18500.0 nM 10.1016/s0960-894x(03)00182-3
Homo sapiens Cytochrome P450 19A1 IC50 18500.0 nM 10.1016/s0960-894x(99)00328-5
Homo sapiens Cytochrome P450 19A1 IC50 18500.0 nM 10.1021/jm00012a009
Homo sapiens Cytochrome P450 19A1 IC50 18500.0 nM 10.1021/jm000955s
Homo sapiens Cytochrome P450 19A1 IC50 28500.0 nM 10.1007/s00044-010-9368-4
Homo sapiens Cytochrome P450 19A1 IC50 28500.0 nM 10.1007/s00044-012-0059-1
Homo sapiens Cytochrome P450 19A1 IC50 29750.0 nM 10.1016/j.bmcl.2005.11.099
Homo sapiens Cytochrome P450 19A1 IC50 29750.0 nM 10.1016/j.bmcl.2008.06.094
Homo sapiens Cytochrome P450 19A1 IC50 30000.0 nM 10.1021/jm00106a038
Homo sapiens Cytochrome P450 19A1 IC50 30000.0 nM 10.1021/jm00171a052
Homo sapiens Cytochrome P450 19A1 IC50 37000.0 nM 10.1021/jm00090a010
Homo sapiens Cytochrome P450 19A1 IC50 37000.0 nM 10.1021/jm00113a004
Homo sapiens Cytochrome P450 19A1 IC50 37000.0 nM 10.1021/jm00158a007
Homo sapiens Cytochrome P450 19A1 IC50 2818382931264.45 nM 10.1016/j.bmc.2005.03.050
Homo sapiens Cytochrome P450 19A1 Inhibition 32.5 % 10.1016/s0960-894x(99)00328-5
Homo sapiens Cytochrome P450 19A1 Inhibition 39.0 % 10.1021/jm00154a025
Homo sapiens Cytochrome P450 19A1 Inhibition 43.0 % 10.1021/jm00158a007
Homo sapiens Cytochrome P450 19A1 Inhibition 61.0 % 10.1021/jm00154a025
Homo sapiens Cytochrome P450 19A1 Inhibition 79.0 % 10.1021/jm00154a025
Homo sapiens Cytochrome P450 19A1 Inhibition 90.0 % 10.1021/jm00355a011
Homo sapiens Cytochrome P450 19A1 Inhibition 90.0 % 10.1021/jm00380a009
Homo sapiens Cytochrome P450 19A1 Inhibition potency 1.0 None 10.1021/jm00108a013
Homo sapiens Cytochrome P450 19A1 Ka app 0.13 uM 10.1021/jm00380a009
Homo sapiens Cytochrome P450 19A1 Ki 470.0 nM 10.1021/jm00106a038
Homo sapiens Cytochrome P450 19A1 Ki 600.0 nM 10.1021/jm00173a001
Homo sapiens Cytochrome P450 19A1 Ki 600.0 nM 10.1021/jm00380a009
Homo sapiens Cytochrome P450 19A1 Ki 600.0 nM 10.1021/jm00392a004
Homo sapiens Cytochrome P450 19A1 Ki 680.0 nM 10.1021/jm00154a016
Homo sapiens Cytochrome P450 19A1 Ki 1410.0 nM 10.1016/j.bmc.2005.03.050
Homo sapiens Cytochrome P450 19A1 Ki 1410.0 nM 10.1021/jm0306024
Homo sapiens Cytochrome P450 19A1 Ki 1800.0 nM 10.1021/jm00392a004
Homo sapiens Cytochrome P450 19A1 Ki 1800.0 nM 10.1021/jm00400a014
Homo sapiens Cytochrome P450 19A1 Ki 4100.0 nM 10.1016/j.ejmech.2015.09.038
Homo sapiens Cytochrome P450 19A1 Km 90.0 nM 10.1016/j.bmc.2005.03.050
Homo sapiens Cytochrome P450 19A1 Km 90.0 nM 10.1021/jm0306024
Homo sapiens Cytochrome P450 19A1 Ks app 0.13 uM 10.1021/jm00400a014
Homo sapiens Cytochrome P450 19A1 Log IC50 3.45 nM 10.1021/jm0306024
Homo sapiens Cytochrome P450 19A1 Ratio 3.0 None 10.1021/jm00392a004
Homo sapiens Cytochrome P450 19A1 Ratio 15.7 None 10.1021/jm0306024
Homo sapiens Cytochrome P450 19A1 Ratio 16.0 None 10.1016/j.bmc.2005.03.050
Homo sapiens Cytochrome P450 19A1 Ratio IC50 1.0 None 10.1016/j.bmcl.2005.11.099
Homo sapiens Cytochrome P450 19A1 Relative potency 1.0 None 10.1016/s0960-894x(03)00182-3
Homo sapiens Cytochrome P450 19A1 Relative potency 1.0 None 10.1021/jm00090a010
Homo sapiens Cytochrome P450 19A1 Relative potency 1.0 None 10.1021/jm00158a007
Homo sapiens Cytochrome P450 19A1 Relative Potency 1.0 None 10.1016/s0960-894x(99)00328-5
Homo sapiens Cytochrome P450 19A1 RP 1.0 None 10.1021/jm00113a004
Homo sapiens Cytochrome P450 19A1 RP 1.1 None 10.1021/jm00113a004
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 Cytochrome P450 3A4 Potency 31622.8 nM 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 DLD-1 GI50 3228494.12 nM None
Homo sapiens DMS-114 GI50 1531087.46 nM None
Homo sapiens DMS-273 GI50 2558585.89 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 0.9 nM 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 AC50 30000.0 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 GI50 3033891.18 nM None
Homo sapiens EKVX GI50 3881503.66 nM None
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 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 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 Geminin Potency 794.3 nM None
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens HCC 2998 GI50 3681289.74 nM None
Homo sapiens HCT-116 GI50 2618183.01 nM None
Homo sapiens HCT-15 GI50 2376840.29 nM None
Homo sapiens HEK293 Potency 2058.8 nM None
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 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 deacetylase 6 Inhibition -21.56 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 7.95 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 GI50 1279381.3 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens HOP-18 GI50 3118889.58 nM None
Homo sapiens HOP-62 GI50 1049542.43 nM None
Homo sapiens HOP-92 GI50 1028016.3 nM None
Homo sapiens Hs-578T GI50 1517050.37 nM None
Homo sapiens HT-29 GI50 2964831.39 nM None
Homo sapiens IGROV-1 GI50 3451437.39 nM None
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 Isocitrate dehydrogenase [NADP] cytoplasmic Potency 16360.1 nM None
Homo sapiens K562 GI50 2084490.88 nM 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 KM12 GI50 2466039.34 nM None
Homo sapiens KM-20L2 GI50 3935500.75 nM 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 LNCaP IC50 nan None 10.1021/jm801335z
Homo sapiens LOX IMVI GI50 2773320.1 nM None
Homo sapiens M14 GI50 2285598.8 nM None
Homo sapiens M19-MEL GI50 2213094.71 nM None
Homo sapiens Malme-3M GI50 2964831.39 nM None
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None 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 MCF7 GI50 3006076.3 nM None
Homo sapiens MCF7 IC50 nan None 10.1021/jm801335z
Homo sapiens MDA-MB-231 GI50 2612161.35 nM None
Homo sapiens MDA-MB-435 GI50 2741574.17 nM None
Homo sapiens MDA-N GI50 3250872.97 nM None
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 MOLT-4 GI50 1442115.35 nM 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 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 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 NCI/ADR-RES GI50 1678804.02 nM None
Homo sapiens NCI-H226 GI50 1883649.09 nM None
Homo sapiens NCI-H23 GI50 3243396.17 nM None
Homo sapiens NCI-H322M GI50 3689775.99 nM None
Homo sapiens NCI-H460 GI50 2582260.19 nM None
Homo sapiens NCI-H522 GI50 2642408.76 nM 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 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 OVCAR-3 GI50 1811340.09 nM None
Homo sapiens OVCAR-4 GI50 1967886.29 nM None
Homo sapiens OVCAR-5 GI50 4920395.36 nM None
Homo sapiens OVCAR-8 GI50 3273406.95 nM None
Homo sapiens PC-3 FC 0.979 None 10.1038/nchembio790
Homo sapiens PC-3 GI50 1166809.62 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 6012.0 nM None
Homo sapiens Peripheral myelin protein 22 Potency 84921.4 nM None
Homo sapiens Phosphodiesterase 3A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 9499.9 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 Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens RPMI-8226 GI50 2488857.32 nM None
Homo sapiens RXF 393 GI50 1327394.46 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 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 SF-268 GI50 2857590.54 nM None
Homo sapiens SF-295 GI50 1883649.09 nM None
Homo sapiens SF-539 GI50 3243396.17 nM None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SK-MEL-2 GI50 3507518.74 nM None
Homo sapiens SK-MEL-28 GI50 3605786.43 nM None
Homo sapiens SK-MEL-5 GI50 2089296.13 nM None
Homo sapiens SK-OV-3 GI50 1191242.01 nM None
Homo sapiens SN12C GI50 3396252.73 nM None
Homo sapiens SN12K1 GI50 1694337.8 nM None
Homo sapiens SNB-19 GI50 3349654.39 nM None
Homo sapiens SNB-75 GI50 1905460.72 nM None
Homo sapiens SNB-78 GI50 2172701.18 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 52.33 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 77.0 % 10.1124/mol.112.084152
Homo sapiens SR GI50 3819442.71 nM None
Homo sapiens SW-620 GI50 3515604.41 nM None
Homo sapiens T47D GI50 2074913.52 nM None
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane-A synthase IC50 18500.0 nM 10.1021/jm991180u
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens TK-10 GI50 2172701.18 nM None
Homo sapiens Transcriptional regulator ERG Potency 891.3 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 U-251 GI50 2051162.18 nM None
Homo sapiens UACC-257 GI50 2648500.14 nM None
Homo sapiens UACC-62 GI50 1815515.66 nM None
Homo sapiens UO-31 GI50 1927524.91 nM None
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 XF498 GI50 1548816.62 nM None
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 3.02 % 10.6019/CHEMBL4513141
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
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Monoamine oxidase B Activity nan None 10.1021/jm800656v
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus P388 GI50 2393315.76 nM None
Mus musculus P388/ADR GI50 1606941.25 nM 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 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
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 14.25 % 10.6019/CHEMBL4513141
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 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 Cytochrome P450 11B2 IC50 50000.0 nM 10.1021/jm00012a009
Rattus norvegicus Cytochrome P450 11B2 IC50 80000.0 nM 10.1021/jm00012a009
Rattus norvegicus Cytochrome P450 11B2 IC50 110000.0 nM 10.1021/jm00108a013
Rattus norvegicus Cytochrome P450 19A1 EC50 260.0 nM 10.1021/jm00391a016
Rattus norvegicus Cytochrome P450 19A1 ED 2.3 mg kg-1 10.1021/jm00108a013
Rattus norvegicus Cytochrome P450 19A1 ED50 30.0 mg.kg-1 10.1021/jm00106a038
Rattus norvegicus Cytochrome P450 19A1 Effect 97.0 None 10.1021/jm00035a007
Rattus norvegicus Cytochrome P450 19A1 IC50 6200.0 nM 10.1021/jm00012a009
Rattus norvegicus Cytochrome P450 19A1 IC50 34000.0 nM 10.1021/jm00113a004
Rattus norvegicus Cytochrome P450 19A1 Inhibition 37.0 % 10.1021/jm00012a009
Rattus norvegicus Cytochrome P450 19A1 Inhibition 41.33 % 10.1007/s00044-010-9442-y
Rattus norvegicus Cytochrome P450 19A1 Inhibition 53.0 % 10.1021/jm00012a009
Rattus norvegicus Cytochrome P450 19A1 Inhibition 67.0 % 10.1021/jm00383a017
Rattus norvegicus Cytochrome P450 19A1 Inhibition 73.0 % 10.1021/jm00012a009
Rattus norvegicus Cytochrome P450 19A1 Inhibition 73.0 % 10.1021/jm00035a007
Rattus norvegicus Cytochrome P450 19A1 Inhibition 80.0 % 10.1021/jm00383a017
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 37300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 251.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 367.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 463.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 54.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 56.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 78.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 87.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 91.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 137.67 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 1.3 ug.mL-1 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 BUN 120.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 166.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 170.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Change of tumor area 4.0 % 10.1021/jm00035a007
Rattus norvegicus Rattus norvegicus Change of tumor area 17.0 % 10.1021/jm00035a007
Rattus norvegicus Rattus norvegicus Change of tumor area 23.0 % 10.1021/jm00035a007
Rattus norvegicus Rattus norvegicus Change of tumor area 54.0 % 10.1021/jm00035a007
Rattus norvegicus Rattus norvegicus CHLORIDE 100.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 670.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 693.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 1036.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 282.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 357.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 398.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 27000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 27330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.6 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1556.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1600.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.23 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.6 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.93 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 134700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 141000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 151300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Inhibition 12.0 % 10.1021/jm00012a009
Rattus norvegicus Rattus norvegicus Inhibition 40.0 % 10.1021/jm00012a009
Rattus norvegicus Rattus norvegicus Inhibition 67.0 % 10.1021/jm00113a004
Rattus norvegicus Rattus norvegicus Inhibition 67.0 % 10.1021/jm00158a007
Rattus norvegicus Rattus norvegicus Inhibition 68.0 % 10.1021/jm00113a004
Rattus norvegicus Rattus norvegicus LDH 202.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 241.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 347.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 12.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11710.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12308.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 14655.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 80.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 84.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.57 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.23 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 393300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 396700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 398700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.1 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.17 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.77 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 54.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 135.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 267.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 14.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 18.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1457.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1890.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 2622.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus New tumors 4.0 None 10.1021/jm00108a013
Rattus norvegicus Rattus norvegicus New tumors 5.0 None 10.1021/jm00108a013
Rattus norvegicus Rattus norvegicus No. of tumors 7.0 None 10.1021/jm00035a007
Rattus norvegicus Rattus norvegicus No. of tumors 18.0 None 10.1021/jm00108a013
Rattus norvegicus Rattus norvegicus No. of tumors 24.0 None 10.1021/jm00108a013
Rattus norvegicus Rattus norvegicus No. of tumors 35.0 None 10.1021/jm00035a007
Rattus norvegicus Rattus norvegicus Of tumors 6.0 % 10.1021/jm00035a007
Rattus norvegicus Rattus norvegicus PHOS 118.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 120.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 130.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Plasma-E2 concentration 164.0 pg ml-1 10.1021/jm00113a004
Rattus norvegicus Rattus norvegicus Plasma-E2 concentration 272.0 pg ml-1 10.1021/jm00113a004
Rattus norvegicus Rattus norvegicus Plasma-E2 concentration 500.0 pg ml-1 10.1021/jm00113a004
Rattus norvegicus Rattus norvegicus Plasma-E2 concentration 843.0 pg ml-1 10.1021/jm00113a004
Rattus norvegicus Rattus norvegicus PLAT 1044000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1180670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1364330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.62 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.27 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.52 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 52300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5370000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5820000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6410000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Response 4.1 % 10.1021/jm00108a013
Rattus norvegicus Rattus norvegicus Response 4.25 % 10.1021/jm00108a013
Rattus norvegicus Rattus norvegicus Response 11.2 % 10.1021/jm00108a013
Rattus norvegicus Rattus norvegicus Response 22.2 % 10.1021/jm00108a013
Rattus norvegicus Rattus norvegicus Response 66.6 % 10.1021/jm00108a013
Rattus norvegicus Rattus norvegicus Response 91.6 % 10.1021/jm00108a013
Rattus norvegicus Rattus norvegicus SODIUM 142.47 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.27 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 17.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14600.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 16170.0 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 188.9 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 42284.1 nM None
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 index 0.05748 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Inhibition -4.21 % 10.6019/CHEMBL4513141
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 Biotransformation nan None 10.1038/s41586-019-1291-3
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Hepatotoxicity HepSE_bilirubinemia 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 LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 4.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 67.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET IC50 50000.0 nM 10.1021/jm00108a013
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.bmc.2010.01.068
None NON-PROTEIN TARGET IC50 nan None 10.1021/jm801335z
None NON-PROTEIN TARGET Potency 0.7 nM None
None NON-PROTEIN TARGET Potency 0.8 nM None
None NON-PROTEIN TARGET Potency 1.1 nM None
None No relevant target LogD7.4 0.6 None 10.6019/CHEMBL3301361
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Ac50 7.079 uM None
None Unchecked Ac50 10.0 uM None
None Unchecked AC50 7079.5 nM None
None Unchecked AC50 10000.0 nM None
None Unchecked Hepatotoxicity (acute) 4.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 3.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 82.9 nM 10.1021/jm800012w
None Unchecked IC50 nan None None
None Unchecked Ki nan None None
None Unchecked Potency 20.0 nM None
None Unchecked Potency 112.2 nM None
None Unchecked Potency 15848.9 nM None

Metabolism Information