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Fluoxetine

AlkaPlorer ID: AK321648

Synonym: None

IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

Structure

SMILES: CNCCC(OC1=CC=C(C(F)(F)F)C=C1)C1=CC=CC=C1

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InChI: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3

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InChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 309.331

TPSA？: 21.26

MolLogP？: 4.435000000000003

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition -2.58 % 10.6019/CHEMBL4513149
Arthrodermataceae Arthrodermataceae MFC 64.0 ug ml-1 10.1021/jm800009r
Arthrodermataceae Arthrodermataceae MFC50 64.0 ug ml-1 10.1021/jm800009r
Arthrodermataceae Arthrodermataceae MFC90 64.0 ug ml-1 10.1021/jm800009r
Arthrodermataceae Arthrodermataceae MIC 45.0 ug.mL-1 10.1021/jm800009r
Arthrodermataceae Arthrodermataceae MIC50 32.0 ug.mL-1 10.1021/jm800009r
Arthrodermataceae Arthrodermataceae MIC90 64.0 ug.mL-1 10.1021/jm800009r
Aspergillus flavus Aspergillus flavus IZ 11.5 mm 10.1016/j.ejmech.2010.12.002
Aspergillus flavus Aspergillus flavus MIC 6.25 ug.mL-1 10.1016/j.ejmech.2010.12.002
Aspergillus fumigatus Aspergillus fumigatus Activity nan None 10.1016/j.ejmech.2007.10.024
Aspergillus niger Aspergillus niger IZ 10.5 mm 10.1016/j.ejmech.2010.12.002
Aspergillus niger Aspergillus niger MIC 6.25 ug.mL-1 10.1016/j.ejmech.2010.12.002
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Caenorhabditis elegans Caenorhabditis elegans Activity -48.0 % 10.1038/nature05991
Caenorhabditis elegans Caenorhabditis elegans Activity -12.0 % 10.1038/nature05991
Caenorhabditis elegans Caenorhabditis elegans Activity -11.0 % 10.1038/nature05991
Candida albicans Candida albicans Inhibition 1.88 % 10.6019/CHEMBL4513149
Candida albicans Candida albicans MFC 128.0 ug ml-1 10.1021/jm049856v
Candida albicans Candida albicans MFC50 128.0 ug ml-1 10.1021/jm049856v
Candida albicans Candida albicans MFC90 128.0 ug ml-1 10.1021/jm049856v
Candida albicans Candida albicans MIC 50.0 ug.mL-1 10.1016/j.ejmech.2007.10.024
Candida albicans Candida albicans MIC 128.0 ug.mL-1 10.1021/jm049856v
Candida albicans Candida albicans MIC50 64.0 ug.mL-1 10.1021/jm049856v
Candida albicans Candida albicans MIC90 128.0 ug.mL-1 10.1021/jm049856v
Candida parapsilosis Candida parapsilosis MFC 64.0 ug ml-1 10.1021/jm049856v
Candida parapsilosis Candida parapsilosis MIC 8.0 ug.mL-1 10.1021/jm049856v
Candida parapsilosis Candida parapsilosis MIC 50.0 ug.mL-1 10.1016/j.ejmech.2007.10.024
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 2.51 % 10.6019/CHEMBL4513149
Cryptococcus neoformans Cryptococcus neoformans MIC 25.0 ug.mL-1 10.1016/j.ejmech.2007.10.024
Cryptosporidium parvum Cryptosporidium parvum IC50 nan None 10.1016/j.bmc.2010.01.068
dengue virus type 2 dengue virus type 2 IC50 380.0 nM 10.1016/j.ejmech.2019.05.010
Entamoeba histolytica Entamoeba histolytica IC50 nan None 10.1016/j.bmc.2010.01.068
enterovirus D68 enterovirus D68 EC50 1000.0 nM 10.1021/acs.jmedchem.9b00115
Escherichia coli Escherichia coli Inhibition 3.0 % 10.6019/CHEMBL4513149
Gerbillinae Gerbillinae Activity nan None 10.1016/j.bmc.2013.02.010
Gerbillinae Gerbillinae Activity nan None 10.1016/j.bmcl.2012.11.094
Homo sapiens Acetylcholinesterase IC50 130.0 nM 10.1016/j.ejmech.2009.12.038
Homo sapiens Acetylcholinesterase IC50 10000.0 nM 10.1021/jm7009364
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 Alpha-1a adrenergic receptor AC50 5217.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 5283.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 23000.1 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki 6.31 nM 10.1021/jm001040g
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor pKB 7.4 None 10.1021/jm001040g
Homo sapiens Alpha-2b adrenergic receptor AC50 3849.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 1528.0 nM None
Homo sapiens Alpha-2b adrenergic receptor Ki 698.0 nM None
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 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 Arachidonate 15-lipoxygenase, type II Potency 15848.9 nM None
Homo sapiens Ataxin-2 Potency 14125.4 nM None
Homo sapiens Ataxin-2 Potency 19952.6 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Bile salt export pump IC50 143800.0 nM 10.1124/dmd.112.047068
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None 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 1943.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 I Activity 175.0 % 10.1016/s0960-894x(03)00507-9
Homo sapiens Carbonic anhydrase I Activity 210.0 % 10.1016/s0960-894x(03)00507-9
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 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 7770.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chromobox protein homolog 1 Potency 25118.9 nM None
Homo sapiens Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 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 Inhibition 12.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 1A2 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 1B1 IC50 475000.0 nM 10.1016/j.ejmech.2017.04.042
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2B6 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 2C19 Activity nan None None
Homo sapiens Cytochrome P450 2C19 IC50 40.0 nM 10.1016/j.ejmech.2015.08.001
Homo sapiens Cytochrome P450 2C19 IC50 65.0 nM 10.1016/j.bmcl.2019.126882
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Inhibition 36.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C19 Ratio IC50 5.0 None 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C8 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 2C8 Ki 294000.0 nM 10.2174/138920005774330639
Homo sapiens Cytochrome P450 2C8 Kinact 0.083 min-1 10.2174/138920005774330639
Homo sapiens Cytochrome P450 2C9 Activity nan None None
Homo sapiens Cytochrome P450 2C9 FC 0.7 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2C9 Ratio IC50 2.0 None 10.1021/tx300075j
Homo sapiens Cytochrome P450 2D6 Activity nan None None
Homo sapiens Cytochrome P450 2D6 FC 0.6 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 IC50 700.0 nM None
Homo sapiens Cytochrome P450 2D6 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 2D6 Inhibition 20.0 % 10.1021/jm900201b
Homo sapiens Cytochrome P450 2D6 Inhibition nan % 10.1021/tx300075j
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 2J2 Activity 44.3 % 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2J2 Activity 87.0 % 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2J2 IC50 50000.0 nM 10.1124/dmd.112.048264
Homo sapiens Cytochrome P450 3A4 FC 0.7 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 3A4 IC50 10000.0 nM 10.1016/j.bmcl.2019.126882
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1124/dmd.111.038208
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 mechanism based inhibition nan None 10.2174/138920005774330639
Homo sapiens Cytochrome P450 3A4 Ratio IC50 2.0 None 10.1021/tx300075j
Homo sapiens Cytochrome P450 3A4 Ratio IC50 5.0 None 10.1021/tx300075j
Homo sapiens Delta opioid receptor AC50 10000.0 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 Dopamine D1 receptor AC50 2300.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 8577.0 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 D1 receptor Potency 11220.2 nM None
Homo sapiens Dopamine D1 receptor Potency 14125.4 nM None
Homo sapiens Dopamine D2 receptor AC50 7056.9 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 10000.0 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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine D5 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 5330.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 4400.0 nM 10.1016/j.bmcl.2006.05.049
Homo sapiens Dopamine transporter IC50 4400.0 nM 10.1016/j.bmcl.2006.05.051
Homo sapiens Dopamine transporter IC50 6000.0 nM 10.1016/j.bmcl.2008.05.057
Homo sapiens Dopamine transporter IC50 6000.0 nM 10.1016/j.bmcl.2008.07.050
Homo sapiens Dopamine transporter IC50 9120.11 nM 10.1016/j.bmcl.2013.03.066
Homo sapiens Dopamine transporter IC50 10000.0 nM None
Homo sapiens Dopamine transporter IC50 18400.0 nM 10.1016/j.bmcl.2014.06.026
Homo sapiens Dopamine transporter IC50 18400.0 nM 10.1021/ml500187a
Homo sapiens Dopamine transporter IC50 19500.0 nM 10.1016/j.bmc.2008.10.065
Homo sapiens Dopamine transporter IC50 19500.0 nM 10.1021/jm8010993
Homo sapiens Dopamine transporter IC50 nan None 10.1016/j.bmcl.2010.07.021
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Inhibition 5.0 % 10.1016/j.bmcl.2014.06.026
Homo sapiens Dopamine transporter Inhibition 6.0 % 10.1016/j.bmcl.2014.06.026
Homo sapiens Dopamine transporter Inhibition 6.0 % 10.1021/ml500187a
Homo sapiens Dopamine transporter Inhibition 31.0 % 10.1016/j.bmcl.2013.08.062
Homo sapiens Dopamine transporter Inhibition 31.0 % 10.1016/j.bmcl.2014.06.026
Homo sapiens Dopamine transporter Kd 3600.0 nM 10.1016/s0960-894x(98)00062-6
Homo sapiens Dopamine transporter Ki 1900.0 nM 10.1021/jm0503291
Homo sapiens Dopamine transporter Ki 3764.0 nM 10.1016/j.bmcl.2013.03.066
Homo sapiens Dopamine transporter Ki 6000.0 nM 10.1021/jm058225d
Homo sapiens Dopamine transporter Ki 6670.0 nM 10.1016/j.bmc.2008.10.065
Homo sapiens Dopamine transporter Ki 6670.0 nM 10.1021/jm8010993
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens Endothelin receptor ET-A AC50 8040.1 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 Endothelin receptor ET-B AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Ferrochelatase, mitochondrial Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens GABA-B receptor 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 16788.9 nM None
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon 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 HEK293 Inhibition 55.8 % 10.1016/j.bmcl.2014.02.065
Homo sapiens HEK293 Inhibition 55.8 % 10.1016/j.ejmech.2014.05.061
Homo sapiens HEK293 Potency 7304.8 nM None
Homo sapiens HeLa IC50 10000.0 nM 10.1039/C8MD00319J
Homo sapiens HepG2 CC20 8.97 uM 10.6019/CHEMBL3832761
Homo sapiens HERG AC50 5598.3 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 10.0 nM 10.1021/jm400856t
Homo sapiens HERG IC50 457.09 nM 10.1016/j.ejmech.2010.11.042
Homo sapiens HERG IC50 1513.56 nM 10.1016/j.bmc.2008.04.028
Homo sapiens HERG IC50 1513.56 nM 10.1016/j.bmcl.2005.03.080
Homo sapiens HERG IC50 1513.56 nM 10.1016/s0960-894x(03)00492-x
Homo sapiens HERG IC50 3100.0 nM 10.1016/j.bmc.2010.06.037
Homo sapiens HERG IC50 10000.0 nM 10.1016/j.bmcl.2019.126882
Homo sapiens HERG IC50 12286.4 nM None
Homo sapiens HERG Ki 10066.0 nM None
Homo sapiens Histamine H1 receptor AC50 4242.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Inhibition 50.0 % 10.1021/np50094a001
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 1549.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor Ki 7300.0 nM 10.1016/j.bmcl.2006.10.089
Homo sapiens Histamine H3 receptor Ki 7300.0 nM 10.1016/j.bmcl.2006.11.036
Homo sapiens Histamine H3 receptor Ki 7300.0 nM 10.1016/j.bmcl.2007.02.006
Homo sapiens Histamine H3 receptor Ki 7300.0 nM 10.1016/j.bmcl.2007.06.061
Homo sapiens Histone deacetylase 6 Inhibition 0.09 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 7.25 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 707.9 nM None
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 3.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fabs 70.0 % 10.1124/dmd.110.034629
Homo sapiens Homo sapiens Vdss 4.3 L.kg-1 10.1021/acs.jmedchem.5b00201
Homo sapiens Homo sapiens Vdss 71.0 L.kg-1 10.1021/acs.jmedchem.5b00201
Homo sapiens Huntingtin Potency 35481.3 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 K562 CC50 25000.0 nM 10.1021/jm049856v
Homo sapiens Kappa opioid receptor AC50 1544.0 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 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 Liver microsome CLH nan None 10.1124/dmd.111.039180
Homo sapiens Liver microsome Drug metabolism nan None 10.1124/dmd.111.039180
Homo sapiens Liver microsome PB 15.0 pmol 10.1124/dmd.111.039180
Homo sapiens Liver microsomes Activity 15.0 pmol 10.1021/tx300075j
Homo sapiens Liver microsomes Stability nan % 10.1021/tx300075j
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 IC50 10.0 nM 10.1016/j.bmcl.2020.127365
Homo sapiens MDA-MB-231 IC50 500.0 nM 10.1021/acs.jmedchem.0c01180
Homo sapiens MDA-MB-436 IC50 500.0 nM 10.1021/acs.jmedchem.0c01180
Homo sapiens Melanocortin receptor 3 AC50 6170.1 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Monoamine oxidase A AC50 10000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens MRC5 CC50 11400.0 nM 10.6019/CHEMBL3832761
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 14000.1 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 11811.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 3203.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki 771.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 11553.4 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 6040.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 3595.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki 762.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M4 AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 AC50 5249.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 1358.0 nM None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki 976.0 nM None
Homo sapiens Neurokinin 1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 1 receptor Log IC50 nan None 10.1016/s0960-894x(02)00563-2
Homo sapiens Neurokinin 2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Niemann-Pick C1 protein Potency 58047.9 nM None
Homo sapiens Norepinephrine transporter AC50 1516.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 563.0 nM 10.1016/j.bmcl.2008.08.060
Homo sapiens Norepinephrine transporter IC50 563.0 nM 10.1016/j.bmcl.2009.03.054
Homo sapiens Norepinephrine transporter IC50 1020.0 nM 10.1016/j.bmc.2008.10.065
Homo sapiens Norepinephrine transporter IC50 1020.0 nM 10.1021/jm8010993
Homo sapiens Norepinephrine transporter IC50 1303.0 nM None
Homo sapiens Norepinephrine transporter IC50 2000.0 nM 10.1016/j.bmcl.2008.05.057
Homo sapiens Norepinephrine transporter IC50 2000.0 nM 10.1016/j.bmcl.2008.07.050
Homo sapiens Norepinephrine transporter IC50 2535.0 nM None
Homo sapiens Norepinephrine transporter IC50 4410.0 nM 10.1016/j.bmcl.2014.06.026
Homo sapiens Norepinephrine transporter IC50 4410.0 nM 10.1021/ml500187a
Homo sapiens Norepinephrine transporter IC50 5200.0 nM 10.1016/j.bmcl.2006.05.049
Homo sapiens Norepinephrine transporter IC50 5200.0 nM 10.1016/j.bmcl.2006.05.051
Homo sapiens Norepinephrine transporter IC50 6309.57 nM 10.1016/j.bmcl.2013.03.066
Homo sapiens Norepinephrine transporter IC50 nan None 10.1016/j.bmcl.2010.07.021
Homo sapiens Norepinephrine transporter Inhibition 1.0 % 10.1021/jm701602g
Homo sapiens Norepinephrine transporter Inhibition 5.0 % 10.1016/j.bmcl.2014.06.026
Homo sapiens Norepinephrine transporter Inhibition 5.0 % 10.1021/ml500187a
Homo sapiens Norepinephrine transporter Inhibition 8.0 % 10.1016/j.bmcl.2014.06.026
Homo sapiens Norepinephrine transporter Inhibition 50.0 % 10.1021/np50094a001
Homo sapiens Norepinephrine transporter Inhibition 56.0 % 10.1016/j.bmcl.2013.08.062
Homo sapiens Norepinephrine transporter Inhibition 56.0 % 10.1016/j.bmcl.2014.06.026
Homo sapiens Norepinephrine transporter Kd 240.0 nM 10.1016/s0960-894x(98)00062-6
Homo sapiens Norepinephrine transporter Ki 440.0 nM 10.1021/jm0503291
Homo sapiens Norepinephrine transporter Ki 1292.0 nM None
Homo sapiens Norepinephrine transporter Ki 1394.0 nM 10.1016/j.bmcl.2013.03.066
Homo sapiens Norepinephrine transporter Ki 1560.0 nM 10.1016/j.bmc.2008.10.065
Homo sapiens Norepinephrine transporter Ki 1560.0 nM 10.1021/jm8010993
Homo sapiens Norepinephrine transporter Ki 2000.0 nM 10.1021/jm058225d
Homo sapiens P-glycoprotein 1 Activity nan None 10.1124/jpet.102.039255
Homo sapiens P-glycoprotein 1 IC50 115500.0 nM 10.1124/jpet.102.046532
Homo sapiens P-glycoprotein 1 Inhibition 23.5 % 10.1124/jpet.102.039255
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Phosphodiesterase 6A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Plasma Fu 0.06 None 10.1021/acs.jmedchem.5b00201
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Porphobilinogen deaminase Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens Potassium channel subfamily K member 2 IC50 14000.0 nM 10.1021/acs.jmedchem.5b00671
Homo sapiens Potassium channel subfamily K member 2 IC50 19000.0 nM 10.1021/acs.jmedchem.5b00671
Homo sapiens Potassium channel subfamily K member 2 Inhibition 84.0 % 10.1021/acs.jmedchem.5b00671
Homo sapiens Potassium channel subfamily K member 2 Inhibition nan % 10.1021/acs.jmedchem.0c00842
Homo sapiens Potassium channel subfamily K member 9 Inhibition 31.0 % 10.1021/acs.jmedchem.5b00671
Homo sapiens Prelamin-A/C Potency 1412.5 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Ras-related protein Rab-9A Potency 58047.9 nM None
Homo sapiens RD CC50 11900.0 nM 10.1021/acs.jmedchem.9b00115
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 Regulator of G-protein signaling 4 Potency 10621.3 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 18492.7 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 23280.9 nM None
Homo sapiens Serine/threonine-protein kinase mTOR Potency 26121.6 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor EC50 nan nM 10.1021/jm0304010
Homo sapiens Serotonin 1a (5-HT1a) receptor Emax nan None 10.1021/jm0304010
Homo sapiens Serotonin 1a (5-HT1a) receptor Ki nan nM 10.1021/jm0304010
Homo sapiens Serotonin 1a (5-HT1a) receptor Ki nan None 10.1016/j.bmc.2008.05.075
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 91.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 3500.0 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 194.0 nM None
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 710.0 nM 10.1016/j.bmcl.2019.126882
Homo sapiens Serotonin 2a (5-HT2a) receptor Inhibition nan % 10.1016/j.bmcl.2019.126882
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 55.0 nM None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 3906.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 5256.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 15000.0 nM 10.1038/s41467-023-40064-9
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 93.3 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 119.0 nM None
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 160.0 nM 10.1016/j.bmcl.2019.126882
Homo sapiens Serotonin 2c (5-HT2c) receptor Inhibition nan % 10.1016/j.bmcl.2019.126882
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 62.0 nM None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor Inhibition 50.0 % 10.1016/j.ejmech.2008.12.003
Homo sapiens Serotonin 5a (5-HT5a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor AC50 1529.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 1661.0 nM None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki 771.0 nM None
Homo sapiens Serotonin 7 (5-HT7) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 29.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter EC50 2.7 nM 10.1021/ml2000033
Homo sapiens Serotonin transporter Efficacy 81.0 % 10.1021/ml2000033
Homo sapiens Serotonin transporter FC 0.261 None 10.1016/j.bmcl.2017.01.008
Homo sapiens Serotonin transporter IC50 0.51 nM None
Homo sapiens Serotonin transporter IC50 2.5 nM 10.1016/j.bmcl.2009.12.043
Homo sapiens Serotonin transporter IC50 3.1 nM 10.1016/j.bmcl.2010.07.021
Homo sapiens Serotonin transporter IC50 3.58 nM 10.1021/acs.jmedchem.0c01192
Homo sapiens Serotonin transporter IC50 3.58 nM None
Homo sapiens Serotonin transporter IC50 4.0 nM 10.1016/j.bmcl.2019.126882
Homo sapiens Serotonin transporter IC50 5.012 nM 10.1016/j.bmcl.2011.01.019
Homo sapiens Serotonin transporter IC50 5.012 nM 10.1021/jm101312a
Homo sapiens Serotonin transporter IC50 5.2 nM 10.1016/j.bmc.2010.10.034
Homo sapiens Serotonin transporter IC50 7.0 nM 10.1016/j.bmc.2008.10.065
Homo sapiens Serotonin transporter IC50 7.2 nM 10.1016/j.bmcl.2013.08.062
Homo sapiens Serotonin transporter IC50 7.3 nM 10.1021/jm8010993
Homo sapiens Serotonin transporter IC50 8.6 nM 10.1016/j.bmcl.2013.01.025
Homo sapiens Serotonin transporter IC50 9.4 nM 10.1016/j.bmcl.2008.10.026
Homo sapiens Serotonin transporter IC50 9.4 nM 10.1016/j.bmcl.2009.07.050
Homo sapiens Serotonin transporter IC50 9.4 nM 10.1016/j.bmcl.2009.07.053
Homo sapiens Serotonin transporter IC50 9.4 nM 10.1016/j.bmcl.2010.03.059
Homo sapiens Serotonin transporter IC50 9.4 nM 10.1021/jm100053t
Homo sapiens Serotonin transporter IC50 9.4 nM 10.1021/jm200733r
Homo sapiens Serotonin transporter IC50 9.4 nM 10.1021/jm8002262
Homo sapiens Serotonin transporter IC50 9.4 nM 10.1021/jm900888c
Homo sapiens Serotonin transporter IC50 9.4 nM 10.1021/jm901559e
Homo sapiens Serotonin transporter IC50 10.0 nM 10.1016/j.bmcl.2008.08.060
Homo sapiens Serotonin transporter IC50 10.0 nM 10.1016/j.bmcl.2009.03.054
Homo sapiens Serotonin transporter IC50 12.6 nM 10.1021/acs.jmedchem.1c00683
Homo sapiens Serotonin transporter IC50 16.0 nM 10.1016/j.bmcl.2006.05.049
Homo sapiens Serotonin transporter IC50 16.0 nM 10.1016/j.bmcl.2006.05.051
Homo sapiens Serotonin transporter IC50 32.4 nM 10.1021/jm0304010
Homo sapiens Serotonin transporter IC50 39.4 nM 10.1021/jm060218h
Homo sapiens Serotonin transporter IC50 39.4 nM 10.1021/jm8007097
Homo sapiens Serotonin transporter IC50 47.0 nM 10.1016/j.bmcl.2008.05.057
Homo sapiens Serotonin transporter IC50 47.0 nM 10.1016/j.bmcl.2008.07.050
Homo sapiens Serotonin transporter IC50 150.0 nM 10.1016/j.bmcl.2014.06.026
Homo sapiens Serotonin transporter IC50 150.0 nM 10.1021/ml500187a
Homo sapiens Serotonin transporter IC50 180.0 nM 10.1021/jm7009364
Homo sapiens Serotonin transporter IC50 281.84 nM 10.1016/j.bmcl.2013.03.066
Homo sapiens Serotonin transporter Inhibition 6.0 % 10.1016/j.bmcl.2013.01.025
Homo sapiens Serotonin transporter Inhibition 26.1 % 10.1021/jm701602g
Homo sapiens Serotonin transporter Inhibition 44.0 % 10.1016/j.bmcl.2014.06.026
Homo sapiens Serotonin transporter Inhibition 44.0 % 10.1021/ml500187a
Homo sapiens Serotonin transporter Inhibition 50.0 % 10.1021/np50094a001
Homo sapiens Serotonin transporter Inhibition 84.0 % 10.1016/j.bmcl.2014.06.026
Homo sapiens Serotonin transporter Inhibition 89.0 % 10.1016/j.bmcl.2013.08.062
Homo sapiens Serotonin transporter Inhibition 89.0 % 10.1016/j.bmcl.2014.06.026
Homo sapiens Serotonin transporter Kd 0.81 nM 10.1016/s0960-894x(98)00062-6
Homo sapiens Serotonin transporter Ki 0.271 nM None
Homo sapiens Serotonin transporter Ki 0.72 nM 10.1021/jm0503291
Homo sapiens Serotonin transporter Ki 1.1 nM 10.1016/j.bmc.2008.10.065
Homo sapiens Serotonin transporter Ki 1.1 nM 10.1021/jm8010993
Homo sapiens Serotonin transporter Ki 1.4 nM 10.1016/j.bmcl.2013.01.025
Homo sapiens Serotonin transporter Ki 2.0 nM 10.1016/j.bmcl.2006.10.089
Homo sapiens Serotonin transporter Ki 2.2 nM 10.1016/j.bmcl.2006.11.036
Homo sapiens Serotonin transporter Ki 2.2 nM 10.1016/j.bmcl.2007.02.006
Homo sapiens Serotonin transporter Ki 2.2 nM 10.1016/j.bmcl.2007.06.061
Homo sapiens Serotonin transporter Ki 3.17 nM 10.1016/0960-894X(95)00398-D
Homo sapiens Serotonin transporter Ki 3.5 nM 10.1021/jm990550b
Homo sapiens Serotonin transporter Ki 31.0 nM 10.1016/j.ejmech.2021.113533
Homo sapiens Serotonin transporter Ki 48.0 nM 10.1021/jm058225d
Homo sapiens Serotonin transporter Ki 98.0 nM 10.1016/j.bmcl.2013.03.066
Homo sapiens Serotonin transporter RFU 0.424 None 10.1016/j.bmcl.2015.08.001
Homo sapiens SH-SY5Y Potency 28183.8 nM None
Homo sapiens Sigma opioid receptor IC50 499.0 nM None
Homo sapiens Sigma opioid receptor IC50 851.14 nM 10.1021/jm00050a008
Homo sapiens Sigma opioid receptor Ki 210.0 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 21.8 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 55.32 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 14.3 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 77.22 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 22.6 % 10.1021/jm300212s
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 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 Tyrosyl-DNA phosphodiesterase 1 Potency 11885.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23715.0 nM None
Homo sapiens U-937 CC50 33300.0 nM 10.1021/jm049856v
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 10000.0 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 Voltage-gated L-type calcium channel alpha-1C subunit IC50 5400.0 nM None
Homo sapiens Whole blood Retention_time 6.08 min 10.1007/s00044-012-9977-1
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 7.93 % 10.6019/CHEMBL4513149
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 13630.0 nM 10.6019/CHEMBL3832761
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 Acetylcholinesterase IC50 10000.0 nM 10.1021/acs.jmedchem.9b00017
Mus musculus Dopamine transporter Ki 2000.0 nM 10.1021/jm00172a018
Mus musculus Mus musculus Activity 0.0 % 10.1007/s00044-007-9041-8
Mus musculus Mus musculus Activity 0.0 % 10.1016/j.bmc.2007.08.055
Mus musculus Mus musculus Activity 4.78 cm/s 10.1021/jm900143u
Mus musculus Mus musculus Activity 6.24 cm/s 10.1021/jm900143u
Mus musculus Mus musculus Activity 6.64 cm/s 10.1021/jm900143u
Mus musculus Mus musculus Activity 14.2 mg kg-1 10.1016/j.ejmech.2007.07.008
Mus musculus Mus musculus Activity 14.8 % 10.1016/j.bmcl.2010.07.021
Mus musculus Mus musculus Activity 16.67 % 10.1016/j.bmc.2007.08.055
Mus musculus Mus musculus Activity 29.0 % 10.1039/d2md00156j
Mus musculus Mus musculus Activity 29.6 mg kg-1 10.1016/j.ejmech.2007.07.008
Mus musculus Mus musculus Activity 45.1 % 10.1016/j.bmcl.2011.02.040
Mus musculus Mus musculus Activity 49.5 % 10.1016/j.ejmech.2013.12.014
Mus musculus Mus musculus Activity 50.0 % 10.1016/j.bmc.2007.08.055
Mus musculus Mus musculus Activity 50.7 % 10.1021/np050439a
Mus musculus Mus musculus Activity 54.0 % 10.1016/j.bmcl.2014.08.037
Mus musculus Mus musculus Activity 57.61 s 10.1021/np049695y
Mus musculus Mus musculus Activity 58.09 % 10.1016/j.ejmech.2012.08.027
Mus musculus Mus musculus Activity 58.68 % 10.1007/s00044-011-9640-2
Mus musculus Mus musculus Activity 59.5 % 10.1016/j.bmc.2007.11.049
Mus musculus Mus musculus Activity 66.4 % 10.1016/j.ejmech.2014.05.061
Mus musculus Mus musculus Activity 67.9 % 10.1016/j.bmcl.2020.127654
Mus musculus Mus musculus Activity 69.48 % 10.1016/j.bmcl.2010.05.100
Mus musculus Mus musculus Activity 72.0 % 10.1007/s00044-004-0107-6
Mus musculus Mus musculus Activity 72.0 % 10.1021/np060470s
Mus musculus Mus musculus Activity 73.61 % 10.1016/j.bmc.2011.05.056
Mus musculus Mus musculus Activity 74.0 % 10.1016/j.bmcl.2014.08.037
Mus musculus Mus musculus Activity 75.35 % 10.1016/j.ejmech.2017.03.036
Mus musculus Mus musculus Activity 78.49 % 10.1007/s00044-007-9041-8
Mus musculus Mus musculus Activity 80.0 % 10.1021/np060470s
Mus musculus Mus musculus Activity 81.6 % 10.1007/s00044-004-0051-5
Mus musculus Mus musculus Activity 87.8 % 10.1016/j.bmc.2014.07.026
Mus musculus Mus musculus Activity 100.0 % 10.1007/s00044-004-0051-5
Mus musculus Mus musculus Activity 100.0 % 10.1007/s00044-004-0107-6
Mus musculus Mus musculus Activity 100.0 % 10.1016/j.bmc.2007.08.055
Mus musculus Mus musculus Activity 102.0 None 10.1016/j.bmcl.2014.09.050
Mus musculus Mus musculus Activity 146.0 % 10.1016/j.bmcl.2010.07.021
Mus musculus Mus musculus Activity 552.2 s 10.1021/jm900143u
Mus musculus Mus musculus Activity 558.0 s 10.1021/jm900143u
Mus musculus Mus musculus Activity 709.3 s 10.1021/jm900143u
Mus musculus Mus musculus Activity 5783.0 cm 10.1021/jm900143u
Mus musculus Mus musculus Activity 7485.0 cm 10.1021/jm900143u
Mus musculus Mus musculus Activity 7970.0 cm 10.1021/jm900143u
Mus musculus Mus musculus Activity nan None 10.1007/s00044-004-0051-5
Mus musculus Mus musculus Activity nan None 10.1007/s00044-007-9041-8
Mus musculus Mus musculus Activity nan None 10.1007/s00044-011-9922-8
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2007.08.055
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2009.01.023
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2017.09.018
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2017.12.016
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2008.09.064
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2013.08.072
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2014.11.036
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2019.126882
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2020.127173
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2010.06.011
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2013.12.014
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2018.07.027
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.0c02018
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.2c01271
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.8b01810
Mus musculus Mus musculus Activity nan None 10.1021/jm2000773
Mus musculus Mus musculus Activity nan None 10.1021/jm200682b
Mus musculus Mus musculus Activity nan None 10.1021/jm8010993
Mus musculus Mus musculus Activity nan None 10.1021/jm900143u
Mus musculus Mus musculus Activity nan None 10.1021/ml2000033
Mus musculus Mus musculus Activity nan None 10.1021/ml300064v
Mus musculus Mus musculus Activity nan None 10.1021/ml400232p
Mus musculus Mus musculus Activity nan None 10.1039/d2md00001f
Mus musculus Mus musculus ED50 0.43 mg.kg-1 10.1021/jm00172a018
Mus musculus Mus musculus ED50 2.69 mg.kg-1 10.1021/jm00061a010
Mus musculus Mus musculus ED50 4.96 mg.kg-1 10.1021/jm00061a010
Mus musculus Mus musculus ED50 6.3 mg.kg-1 10.1016/S0960-894X(01)80986-0
Mus musculus Mus musculus ED50 7.47 mg.kg-1 10.1016/S0960-894X(01)80986-0
Mus musculus Mus musculus ED50 7.47 mg.kg-1 10.1021/jm00061a010
Mus musculus Mus musculus ED50 5090.0 umol.kg-1 10.1016/j.bmc.2007.08.055
Mus musculus Mus musculus ED50 12900.0 umol.kg-1 10.1016/j.bmc.2007.08.055
Mus musculus Mus musculus ED50 nan mg.kg-1 10.1021/jm00133a016
Mus musculus Mus musculus Inhibition 29.0 % 10.1016/j.bmcl.2014.09.050
Mus musculus Mus musculus Inhibition 39.36 % 10.1007/s00044-010-9357-7
Mus musculus Mus musculus Inhibition 39.4 % 10.1016/j.bmcl.2014.09.050
Mus musculus Mus musculus Inhibition 48.9 % 10.1016/j.bmcl.2020.127173
Mus musculus Mus musculus Inhibition 50.7 % 10.1016/j.ejmech.2014.05.061
Mus musculus Mus musculus Inhibition 60.3 % 10.1016/j.bmcl.2010.07.021
Mus musculus Mus musculus Inhibition 69.82 % 10.1016/j.bmcl.2014.11.036
Mus musculus Mus musculus MED 3.0 mg kg-1 10.1016/j.bmcl.2010.07.021
Mus musculus Mus musculus MED 50.0 mg kg-1 10.1016/j.bmcl.2010.07.021
Mus musculus Mus musculus Ratio ED50 0.39 None 10.1016/j.bmc.2007.08.055
Mus musculus Mus musculus TIME 0.003936 hr 10.1007/s00044-010-9470-7
Mus musculus Mus musculus TIME 0.009217 hr 10.1016/j.bmc.2011.05.056
Mus musculus Mus musculus TIME 0.01317 hr 10.1016/j.bmcl.2020.127654
Mus musculus Mus musculus TIME 0.01328 hr 10.1016/j.ejmech.2010.06.011
Mus musculus Mus musculus TIME 0.01831 hr 10.1016/j.ejmech.2013.12.014
Mus musculus Mus musculus TIME 0.01878 hr 10.1016/j.ejmech.2010.06.011
Mus musculus Mus musculus TIME 0.01906 hr 10.1007/s00044-013-0517-4
Mus musculus Mus musculus TIME 0.021 hr 10.1007/s00044-013-0517-4
Mus musculus Mus musculus TIME 0.02331 hr 10.1016/j.ejmech.2016.01.043
Mus musculus Mus musculus TIME 0.02447 hr 10.1016/j.bmcl.2020.127173
Mus musculus Mus musculus TIME 0.02517 hr 10.1016/j.ejmech.2010.06.011
Mus musculus Mus musculus TIME 0.02588 hr 10.1007/s00044-011-9922-8
Mus musculus Mus musculus TIME 0.04125 hr 10.1016/j.ejmech.2010.06.011
Mus musculus Mus musculus TIME 0.0425 hr 10.1016/j.bmcl.2016.06.084
Mus musculus Mus musculus TIME 0.1126 hr 10.1021/acsmedchemlett.2c00081
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Norepinephrine transporter Ki 85.0 nM 10.1021/jm00172a018
Mus musculus Plasma Ratio AUC 0.97 None 10.1124/dmd.110.034629
Mus musculus Serotonin transporter Ki 10.8 nM 10.1021/jm00172a018
Naegleria gruberi Naegleria gruberi Inhibition 7.5 % 10.6019/CHEMBL4513101
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
Penicillium citrinum Penicillium citrinum IZ 8.0 mm 10.1016/j.ejmech.2010.12.002
Penicillium citrinum Penicillium citrinum MIC 6.25 ug.mL-1 10.1016/j.ejmech.2010.12.002
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum Potency 9528.3 nM None
Pneumocystis carinii Pneumocystis carinii IC50 nan None 10.1016/j.bmc.2010.01.068
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 5.21 % 10.6019/CHEMBL4513149
Rattus norvegicus Adrenergic receptor alpha-1 IC50 100.0 nM 10.1021/jm00061a010
Rattus norvegicus Adrenergic receptor alpha-1 Ki 605.0 nM 10.1021/jm0304010
Rattus norvegicus Adrenergic receptor alpha-1 Ki 2620.0 nM 10.1016/0960-894X(95)00398-D
Rattus norvegicus Adrenergic receptor alpha-1 Ki 3981.07 nM 10.1021/jm001040g
Rattus norvegicus Adrenergic receptor alpha-1 Ki 5260.0 nM 10.1021/jm00391a028
Rattus norvegicus Adrenergic receptor alpha-2 Ki 1920.0 nM 10.1016/0960-894X(95)00398-D
Rattus norvegicus Adrenergic receptor alpha-2 Ki 5011.87 nM 10.1021/jm001040g
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 Brain Fu 0.004 None 10.1124/dmd.110.036095
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cytochrome P450 2C11 mechanism based inhibition nan None 10.2174/138920005774330639
Rattus norvegicus Dopamine D2 receptor IC50 100.0 nM 10.1021/jm00061a010
Rattus norvegicus Dopamine D2 receptor Inhibition 12.0 % 10.1021/jm00391a028
Rattus norvegicus Dopamine transporter IC50 6000.0 nM 10.1016/j.bmcl.2008.11.022
Rattus norvegicus Dopamine transporter Ki 1092.0 nM 10.1016/j.bmc.2013.11.017
Rattus norvegicus Dopamine transporter Ki 1092.0 nM 10.1021/jm200020a
Rattus norvegicus Dopamine transporter Ki 2500.0 nM 10.1016/s0960-894x(00)00576-x
Rattus norvegicus Dopamine transporter Ki 2500.0 nM 10.1021/jm9905561
Rattus norvegicus Dopamine transporter Ki 3050.0 nM 10.1016/s0960-894x(98)00062-6
Rattus norvegicus Dopamine transporter Ki 4580.0 nM 10.1021/jm0105373
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate NMDA receptor IC50 nan nM 10.1016/s0960-894x(98)00062-6
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 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 Monoamine transporters; Norepinephrine & serotonin Ratio 24.0 None 10.1016/s0960-894x(00)00576-x
Rattus norvegicus Monoamine transporters; serotonin & dopamine Ratio 624.0 None 10.1016/s0960-894x(00)00576-x
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Norepinephrine transporter Ki 143.0 nM 10.1016/s0960-894x(98)00062-6
Rattus norvegicus Norepinephrine transporter Ki 167.0 nM 10.1021/jm0105373
Rattus norvegicus Norepinephrine transporter Ki 176.0 nM 10.1016/s0960-894x(00)00576-x
Rattus norvegicus Norepinephrine transporter Ki 176.0 nM 10.1021/jm9905561
Rattus norvegicus Norepinephrine transporter Ki 794.33 nM 10.1021/jm001040g
Rattus norvegicus PC-12 Activity 2.8 % 10.1016/j.ejmech.2014.05.061
Rattus norvegicus PC-12 Activity 19.7 % 10.1016/j.bmcl.2014.02.065
Rattus norvegicus PC-12 Activity 19.7 % 10.1016/j.ejmech.2014.05.061
Rattus norvegicus PC-12 Activity 59.1 % 10.1021/acs.jnatprod.5b00667
Rattus norvegicus PC-12 Activity 66.2 % 10.1021/acs.jnatprod.5b00667
Rattus norvegicus PC-12 Activity 69.6 % 10.1021/acs.jnatprod.5b00667
Rattus norvegicus PC-12 Activity 70.1 % 10.1021/acs.jnatprod.5b00667
Rattus norvegicus PC-12 Activity 77.7 % 10.1021/acs.jnatprod.5b00667
Rattus norvegicus PC-12 Activity nan None 10.1016/j.ejmech.2014.05.061
Rattus norvegicus Peripheral myelin protein 22 Potency 14381.8 nM None
Rattus norvegicus Potassium voltage-gated channel subfamily C member 1 IC50 13100.0 nM 10.1021/jm3011433
Rattus norvegicus Rattus norvegicus Activity -56.73 % 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity -49.2 % 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity -48.4 % 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity -42.74 % 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity -41.06 % 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity -32.98 % 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity -31.69 % 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity -19.12 % 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity 4.38 g 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity 4.5 g 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity 7.25 g 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity 8.25 g 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity 8.88 g 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity 12.6 g 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity 13.4 g 10.1016/s0960-894x(01)00449-8
Rattus norvegicus Rattus norvegicus Activity 160.0 % 10.1016/j.bmcl.2005.11.007
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.bmcl.2005.11.007
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.ejmech.2007.07.008
Rattus norvegicus Rattus norvegicus ALB 38000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 38200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 38300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 263.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 317.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 369.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 370.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 373.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 381.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 23.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 32.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 35.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 36.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 37.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 46.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 53.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 55.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 55.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 63.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 65.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 65.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 3.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 4.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 4.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 4.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 5.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 5.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 136.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 146.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 163.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 168.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 97.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 98.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 571.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 643.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 676.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 780.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 796.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 883.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 121.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 127.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 130.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 136.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 141.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 157.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 5.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 5.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 5.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 5.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 6.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 6.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ED50 0.6 mg.kg-1 10.1021/jm00133a016
Rattus norvegicus Rattus norvegicus ED50 11.7 mg.kg-1 10.1016/0960-894X(95)00398-D
Rattus norvegicus Rattus norvegicus ED50 12.1 mg.kg-1 10.1016/0960-894X(95)00398-D
Rattus norvegicus Rattus norvegicus ED50 12.7 mg.kg-1 10.1021/jm00172a018
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus F 60.0 % 10.1016/j.bmcl.2014.08.037
Rattus norvegicus Rattus norvegicus GLUC 1356.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1423.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1620.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1633.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1690.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1735.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.08 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.62 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 38.43 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 39.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 40.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 41.93 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 148200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 149700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 153700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 163300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 166300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus IC50 8.1 nM 10.1021/jm9905561
Rattus norvegicus Rattus norvegicus IC50 70.0 nM 10.1021/jm00396a030
Rattus norvegicus Rattus norvegicus IC50 193.0 nM 10.1021/jm9905561
Rattus norvegicus Rattus norvegicus IC50 308.0 nM 10.1016/0960-894X(95)00398-D
Rattus norvegicus Rattus norvegicus IC50 3280.0 nM 10.1016/0960-894X(95)00398-D
Rattus norvegicus Rattus norvegicus IC50 4500.0 nM 10.1021/jm9905561
Rattus norvegicus Rattus norvegicus IC50 10000.0 nM 10.1021/jm00396a030
Rattus norvegicus Rattus norvegicus IC50 16200.0 nM 10.1016/0960-894X(95)00398-D
Rattus norvegicus Rattus norvegicus Ki 48.0 nM 10.1016/j.bmcl.2003.08.079
Rattus norvegicus Rattus norvegicus Ki 2000.0 nM 10.1016/j.bmcl.2003.08.079
Rattus norvegicus Rattus norvegicus Ki 6000.0 nM 10.1016/j.bmcl.2003.08.079
Rattus norvegicus Rattus norvegicus LYMLE 83.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 84.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Max suppression -11.0 % 10.1021/jm970030l
Rattus norvegicus Rattus norvegicus MCH 23.1 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.48 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.53 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.25 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.27 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.53 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 390000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 395000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 397000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 399700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 400700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.13 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.33 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.45 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.57 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.65 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.8 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 13.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 15.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus No. of escape failures 3.2 None 10.1021/jm001059j
Rattus norvegicus Rattus norvegicus No. of escape failures 4.0 None 10.1021/jm001059j
Rattus norvegicus Rattus norvegicus No. of escape failures 13.0 None 10.1021/jm001059j
Rattus norvegicus Rattus norvegicus PHOS 95.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 100.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 110.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 121.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 122.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 127.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1042830.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1074830.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1162330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1164330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1353670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1383670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.93 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.23 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.27 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 64700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 66000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6110000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6120000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6340000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6650000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6760000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 7100000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus TIME 0.01539 hr 10.1016/j.ejmech.2010.12.002
Rattus norvegicus Rattus norvegicus TIME 0.02978 hr 10.1016/j.ejmech.2010.12.002
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11180.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11300.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11830.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11870.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12470.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1 (5-HT1) receptor IC50 15.0 nM 10.1016/S0960-894X(01)80986-0
Rattus norvegicus Serotonin 1 (5-HT1) receptor Inhibition 13.0 % 10.1021/jm00391a028
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None 10.1016/j.ejmech.2013.02.033
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Serotonin 2 (5-HT2) receptor IC50 100.0 nM 10.1021/jm00061a010
Rattus norvegicus Serotonin 2 (5-HT2) receptor Ki 1000.0 nM 10.1021/jm00391a028
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Ki 109.0 nM 10.1016/j.bmcl.2014.03.043
Rattus norvegicus Serotonin transporter IC50 6.31 nM 10.1016/s0960-894x(02)00563-2
Rattus norvegicus Serotonin transporter IC50 12.6 nM 10.1016/j.bmcl.2010.07.021
Rattus norvegicus Serotonin transporter IC50 15.0 nM 10.1021/jm00061a010
Rattus norvegicus Serotonin transporter IC50 130.0 nM 10.1021/jm970150t
Rattus norvegicus Serotonin transporter IC50 180.0 nM 10.1021/acs.jmedchem.9b00017
Rattus norvegicus Serotonin transporter IC50 8300.0 nM 10.1021/jm2000773
Rattus norvegicus Serotonin transporter Ki 2.7 nM 10.1016/j.bmc.2008.05.075
Rattus norvegicus Serotonin transporter Ki 2.7 nM 10.1021/jm900374r
Rattus norvegicus Serotonin transporter Ki 2.72 nM 10.1021/jm0304010
Rattus norvegicus Serotonin transporter Ki 2.8 nM 10.1016/j.bmcl.2006.10.089
Rattus norvegicus Serotonin transporter Ki 2.9 nM 10.1016/j.bmcl.2006.11.036
Rattus norvegicus Serotonin transporter Ki 2.9 nM 10.1016/j.bmcl.2007.02.006
Rattus norvegicus Serotonin transporter Ki 2.9 nM 10.1016/j.bmcl.2007.06.061
Rattus norvegicus Serotonin transporter Ki 3.9 nM 10.1021/jm060218h
Rattus norvegicus Serotonin transporter Ki 3.9 nM 10.1021/jm8007097
Rattus norvegicus Serotonin transporter Ki 5.6 nM 10.1016/j.bmcl.2014.03.043
Rattus norvegicus Serotonin transporter Ki 7.3 nM 10.1016/s0960-894x(00)00576-x
Rattus norvegicus Serotonin transporter Ki 7.3 nM 10.1021/jm0105373
Rattus norvegicus Serotonin transporter Ki 7.3 nM 10.1021/jm9905561
Rattus norvegicus Serotonin transporter Ki 8.7 nM 10.1016/j.bmc.2007.03.001
Rattus norvegicus Serotonin transporter Ki 10.0 nM 10.1021/jm001040g
Rattus norvegicus Serotonin transporter Ki 12.2 nM 10.1016/j.bmc.2013.11.017
Rattus norvegicus Serotonin transporter Ki 12.2 nM 10.1021/jm200020a
Rattus norvegicus Serotonin transporter Ki 12.7 nM 10.1016/j.ejmech.2013.02.033
Rattus norvegicus Serotonin transporter Ki 14.0 nM 10.1016/s0960-894x(98)00062-6
Rattus norvegicus Serotonin transporter Ki 22.13 nM 10.1016/s0960-894x(00)00290-0
Rattus norvegicus Serotonin transporter Ki 22.13 nM 10.1016/s0960-894x(02)00028-8
Rattus norvegicus Serotonin transporter Ki 41.0 nM 10.1016/j.bmc.2009.12.002
Rattus norvegicus Serotonin transporter Ki 48.0 nM 10.1016/j.bmcl.2008.11.022
Rattus norvegicus Serum albumin Kd 36100.0 nM 10.1124/dmd.110.036095
Rattus norvegicus Sigma intracellular receptor 2 Ki 16100.0 nM 10.1021/acs.jmedchem.0c01192
Rattus norvegicus Sigma opioid receptor Ki 240.0 nM 10.1021/acs.jmedchem.0c01192
Rattus norvegicus Synaptic vesicular amine transporter AC50 2000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 1122.0 nM None
Rattus norvegicus Transporter Ki 158.0 nM 10.1016/j.bmc.2013.11.017
Rattus norvegicus Transporter Ki 2000.0 nM 10.1016/j.bmcl.2008.11.022
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 4667.7 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit IC50 2820.0 nM 10.1002/jat.2784
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 16360.1 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 7.92 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.07098 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.26 % 10.6019/CHEMBL4495565
Sporothrix schenckii Sporothrix schenckii MIC 50.0 ug.mL-1 10.1016/j.ejmech.2007.10.024
Staphylococcus aureus Staphylococcus aureus Inhibition 7.53 % 10.6019/CHEMBL4513149
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
Trichomonas vaginalis Trichomonas vaginalis MIC 28.0 ug.mL-1 10.1016/j.ejmech.2007.10.024
Trichophyton mentagrophytes Trichophyton mentagrophytes MIC 50.0 ug.mL-1 10.1016/j.ejmech.2007.10.024
Trypanosoma brucei Trypanosoma brucei IC50 1020.0 nM 10.6019/CHEMBL3832761
Trypanosoma brucei Trypanosoma brucei IC50 3970.0 nM 10.6019/CHEMBL3832761
Trypanosoma brucei Trypanosoma brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei Trypanosoma brucei brucei Activity 20.0 % 10.1039/C8MD00319J
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 3970.0 nM 10.1039/C8MD00319J
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 4100.0 nM 10.1039/C8MD00319J
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 6200.0 nM 10.1039/C8MD00319J
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 EC50 7000.0 nM 10.1128/aac.01777-09
Trypanosoma cruzi Trypanosoma cruzi IC50 5160.0 nM 10.6019/CHEMBL3832761
Trypanosoma cruzi Trypanosoma cruzi IC50 nan None 10.1016/j.bmc.2010.01.068
None ADMET Activity nan None 10.1021/jm201082a
None ADMET Activity nan None 10.1124/dmd.112.050054
None ADMET Biotransformation nan None 10.1038/s41586-019-1291-3
None ADMET CL 8e-06 mL.min-1.g-1 10.1124/dmd.111.039180
None ADMET CL 0.008 uL/min 10.1124/dmd.111.039180
None ADMET Compound recovery 70.0 % 10.1124/dmd.110.036988
None ADMET delta logD -0.9 None 10.1021/jm0000564
None ADMET EC50 16000.0 nM 10.1128/aac.01777-09
None ADMET F 79.0 % 10.1021/jm0000564
None ADMET Fu 0.04 None 10.1124/dmd.110.036988
None ADMET Fu 0.056 None 10.1124/dmd.110.036988
None ADMET Fu 0.063 None 10.1124/dmd.110.036988
None ADMET Fu 0.079 None 10.1124/dmd.110.036988
None ADMET IC50 150000.0 nM 10.1124/dmd.112.050054
None ADMET Inhibition 28.5 % 10.1016/j.bmcl.2014.02.065
None ADMET Inhibition 28.5 % 10.1016/j.ejmech.2014.05.061
None ADMET Kd 323.0 nM 10.1124/dmd.110.036095
None ADMET logP(lung) 1.24 None 10.1016/j.ejmech.2007.04.002
None ADMET Papp 1.0 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 1.3 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 2.1 ucm/s 10.1124/dmd.110.034629
None ADMET Papp 2.8 ucm/s 10.1124/dmd.110.034629
None ADMET PPB 94.79 % 10.6019/CHEMBL3301361
None ADMET PPB 95.72 % 10.6019/CHEMBL3301361
None ADMET Ratio 0.4 None 10.1124/dmd.110.034629
None ADMET Ratio 0.6 None 10.1124/dmd.110.034629
None ADMET Ratio 1.3 None 10.1124/dmd.110.036095
None ADMET Ratio 20.0 None 10.1124/dmd.110.034629
None ADMET Ratio 31.0 None 10.1124/dmd.110.034629
None ADMET Ratio 39.0 None 10.1124/dmd.110.034629
None ADMET T1/2 24.0 hr 10.1016/j.bmcl.2019.06.043
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 4.7 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 3.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 2.0 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 3.3 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 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 8.0 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 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 3.2 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity LTKB_BD DILI severity score 3.0 None 10.1016/j.drudis.2011.05.007
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 9.6 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value 8.7 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Molecular identity unknown Activity 23.1 % 10.1021/acs.jnatprod.5b00667
None Molecular identity unknown Activity 33.7 % 10.1021/acs.jnatprod.5b00667
None Molecular identity unknown Activity 70.53 % 10.1021/acs.jnatprod.6b00251
None Molecular identity unknown Fu 0.0027 None 10.1124/dmd.110.036095
None Molecular identity unknown Fu 0.003 None 10.1124/dmd.110.036095
None Molecular identity unknown IZ 9.0 mm 10.1016/j.ejmech.2010.12.002
None Molecular identity unknown MIC 6.25 ug.mL-1 10.1016/j.ejmech.2010.12.002
None Molecular identity unknown TIME 0.01122 hr 10.1016/j.ejmech.2016.05.026
None Molecular identity unknown TIME 0.01736 hr 10.1016/j.ejmech.2016.05.026
None Molecular identity unknown TIME 0.01953 hr 10.1016/j.ejmech.2016.05.026
None Molecular identity unknown TIME 0.021 hr 10.1016/j.ejmech.2016.05.026
None Molecular identity unknown TIME 0.02286 hr 10.1016/j.ejmech.2016.05.026
None NON-PROTEIN TARGET CC50 16000.0 nM 10.6019/CHEMBL3832761
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) 7.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 12.5 % 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 nan None 10.1016/j.bmc.2010.01.068
None No relevant target LogD 0.92 None 10.1021/jm0000564
None No relevant target LogD 1.4 None 10.1021/acs.jmedchem.5b00201
None No relevant target LogD 2.84 None 10.1021/jm070375w
None No relevant target LogD 3.0 None 10.1021/jm801441s
None No relevant target LogD7.4 1.92 None 10.6019/CHEMBL3301361
None No relevant target log K 1.22 None 10.1016/j.bmcl.2011.10.007
None No relevant target LogP 2.55 None 10.1016/j.bmcl.2014.02.065
None No relevant target LogP 3.9 None 10.1021/acs.jmedchem.5b00201
None No relevant target LogP 4.05 None 10.1021/jm070524a
None No relevant target LogP 4.57 None 10.1021/jm801441s
None No relevant target Log PNalk 3.1 None 10.1021/jm048980b
None No relevant target pKa 9.5 None 10.1021/jm070524a
None No relevant target pKa 10.1 None 10.1124/dmd.110.036988
None No relevant target pKa 10.2 None 10.1021/jm0000564
None No relevant target pKa 10.2 None 10.1021/jm070375w
None No relevant target pKa 10.2 None 10.1021/jm801441s
None No relevant target pKa 10.5 None 10.1021/acs.jmedchem.5b00201
None No relevant target pKa_B1 9.9 None 10.6019/CHEMBL3301361
None No relevant target Solubility 500000.0 nM 10.1016/j.bmcl.2010.10.068
None No relevant target Solubility 1445400.0 nM 10.6019/CHEMBL3301361
None No relevant target T1/2 55.2 hr 10.1021/acs.jmedchem.9b01877
None Phospholipidosis Maximum test concentration that did not exhibit cytotoxicity 5.0 uM None
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 Phospholipidosis Phospholipidosis as % of positive control 66.5 % None
None Unchecked Ac50 3.548 uM None
None Unchecked Ac50 8.913 uM None
None Unchecked Ac50 11.22 uM None
None Unchecked Ac50 12.59 uM None
None Unchecked Ac50 14.13 uM None
None Unchecked Ac50 39.81 uM None
None Unchecked AC50 3548.1 nM None
None Unchecked AC50 8912.5 nM None
None Unchecked AC50 11220.2 nM None
None Unchecked AC50 12590.0 nM None
None Unchecked AC50 14125.4 nM None
None Unchecked AC50 39810.7 nM None
None Unchecked Activity 13.0 % 10.1021/jm070524a
None Unchecked Activity 700.0 nM 10.1016/S0960-894X(01)80731-9
None Unchecked Hepatotoxicity (acute) 6.0 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) 1.0 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) 5.0 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 90.0 nM None
None Unchecked IC50 827.0 nM None
None Unchecked IC50 1126.0 nM None
None Unchecked IC50 858000.0 nM 10.1126/science.1147614
None Unchecked IC50 nan None None
None Unchecked Inhibition 50.0 % 10.1021/np50094a001
None Unchecked Ki 82.0 nM None
None Unchecked Ki 120.0 nM 10.1021/jm200020a
None Unchecked Ki 736.0 nM None
None Unchecked Ki 1095.0 nM None
None Unchecked Ki nan None None
None Unchecked MEC 0.05 % 10.1016/j.ejmech.2007.10.024
None Unchecked Potency 3548.1 nM None
None Unchecked Potency 6510.4 nM None
None Unchecked Potency 7079.5 nM None
None Unchecked Potency 7943.3 nM None
None Unchecked Potency 18356.4 nM None
None Unchecked Potency 23109.3 nM None
None Unchecked Potency 25118.9 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Potency 36125.4 nM None
None Unchecked Ratio 0.04 None 10.1021/jm0105373
None Unchecked Ratio 23.0 None 10.1021/jm0105373
None Unchecked Ratio 143.0 None 10.1021/jm00396a030
None Unchecked Ratio 627.0 None 10.1021/jm0105373
None Unchecked Ratio CC50/EC50 11.9 None 10.1021/acs.jmedchem.9b00115
None Unchecked Ratio EC50 2.3 None 10.1128/aac.01777-09
None Unchecked Ratio IC50 0.02 None 10.1016/j.bmcl.2008.08.060
None Unchecked Ratio IC50 0.02 None 10.1016/j.bmcl.2009.03.054
None Unchecked Ratio IC50 29.4 None 10.1021/ml500187a
None Unchecked Ratio IC50 122.0 None 10.1021/ml500187a

Metabolism Information