Navigation

name Structure Reference Source Properties Activities Metabolism

Primaquine

AlkaPlorer ID: AK320000

Synonym: None

IUPAC Name: 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine

Structure

SMILES: COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1

copy

InChI: InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3

copy

InChIKey: INDBQLZJXZLFIT-UHFFFAOYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Plasmodium falciparum Plasmodium Plasmodiidae Haemosporida Aconoidasida Apicomplexa None Eukaryota

Properties Information

Molecule Weight: 259.35299999999995

TPSA？: 60.17

MolLogP？: 2.782700000000001

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus cereus Bacillus cereus MIC50 70.0 ug.mL-1 10.1016/j.ejmech.2016.08.021
Bacillus pumilus Bacillus pumilus MIC50 70.0 ug.mL-1 10.1016/j.ejmech.2016.08.021
Bacillus spizizenii Bacillus spizizenii MIC50 80.0 ug.mL-1 10.1016/j.ejmech.2016.08.021
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans Activity nan None 10.1016/j.bmc.2006.10.036
Canis lupus familiaris Canis familiaris Activity nan None 10.1128/aac.00645-07
Canis lupus familiaris Canis familiaris Methemoglobin 11.52 % 10.1016/S0960-894X(97)10074-9
Canis lupus familiaris Canis familiaris Methemoglobin 11.52 % 10.1016/s0960-894x(99)00058-x
Canis lupus familiaris Canis familiaris Methemoglobin 87.6 % 10.1016/s0960-894x(99)00058-x
Canis lupus familiaris Canis familiaris Methemoglobin 89.9 % 10.1016/S0960-894X(97)10074-9
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Chlorocebus sabaeus Vero Activity 340.0 nM 10.1128/aac.00951-09
Chlorocebus sabaeus Vero Activity nan None 10.1016/j.bmc.2006.10.036
Chlorocebus sabaeus Vero Activity nan None 10.1016/j.bmc.2010.11.036
Chlorocebus sabaeus Vero IC50 23.8 ug.mL-1 10.1039/C0MD00267D
Chlorocebus sabaeus Vero IC50 339700.0 nM 10.1016/j.bmcl.2008.07.013
Chlorocebus sabaeus Vero IC50 nan None 10.1016/j.ejmech.2010.03.006
Chlorocebus sabaeus Vero IC50 nan None 10.1016/j.ejmech.2012.03.019
Chromobacterium violaceum Chromobacterium violaceum Activity nan None 10.1016/j.bmcl.2020.127336
Cricetinae gen. sp. Cricetinae gen. sp. Relative activity 2.1 None 10.1021/jm00179a023
Enterococcus faecalis Enterococcus faecalis MIC50 100.0 ug.mL-1 10.1016/j.ejmech.2016.08.021
Enterococcus faecium Enterococcus faecium IC50 1200000.0 nM 10.1021/jm00212a010
Enterococcus faecium Enterococcus faecium IC50 3000000.0 nM 10.1021/jm00212a010
Enterococcus faecium Enterococcus faecium Inhibition nan % 10.1021/jm00212a010
Enterococcus faecium Enterococcus faecium Ratio IC50 3.0 None 10.1021/jm00212a010
Escherichia coli Escherichia coli MIC50 65.0 ug.mL-1 10.1016/j.ejmech.2016.08.021
Escherichia coli GroEL/GroES IC50 6200.0 nM 10.1016/j.bmcl.2019.02.028
Escherichia coli GroEL/GroES IC50 75000.0 nM 10.1016/j.bmcl.2019.02.028
Escherichia coli GroEL/GroES Inhibition 81.0 % 10.1016/j.bmcl.2019.02.028
Escherichia coli GroEL/GroES Inhibition 94.0 % 10.1016/j.bmcl.2019.02.028
Escherichia coli (strain K12) 60 kDa chaperonin IC50 103000.0 nM 10.1016/j.bmcl.2019.02.028
Homo sapiens A549 IC50 100000.0 nM 10.1021/jm900738c
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Acetylcholinesterase IC33 30.0 uM 10.1016/j.ejmech.2008.08.011
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 14655.1 nM 10.1038/s41467-023-40064-9
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 10913.6 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 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 Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Beta-1 adrenergic receptor AC50 26999.8 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 25999.8 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 AC50 61000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 32700.0 nM 10.1093/toxsci/kfq269
Homo sapiens Bile salt export pump IC50 32700.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 53120.0 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 Caco-2 IC50 48000.0 nM 10.1016/j.bmcl.2009.10.081
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 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 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 Cyclooxygenase-1 AC50 2702.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 3948.0 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 21000.0 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 182.4 nM None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 FC 5.5 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 FC 16.7 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 FC 12.3 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor 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 17000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 20644.8 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 EH domain-containing protein 1 Inhibition nan % 10.1016/j.bmc.2017.09.007
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 Estrogen receptor alpha AC50 6699.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Ferrochelatase, mitochondrial Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens 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 HCT-116 IC50 20000.0 nM 10.1016/j.bmc.2009.06.030
Homo sapiens Heat shock protein HSP90 IC50 50000.0 nM None
Homo sapiens HEK-293T EC50 nan None 10.1021/jm4011466
Homo sapiens Hepatocyte Activity nan None 10.1021/acs.jnatprod.9b00362
Homo sapiens Hepatocyte CC50 54000.0 nM 10.1016/j.ejmech.2018.04.038
Homo sapiens Hepatocyte CC50 54210.0 nM 10.1016/j.ejmech.2018.08.063
Homo sapiens HepG2 CC50 6100.0 nM 10.1016/j.ejmech.2015.03.011
Homo sapiens HepG2 CC50 69800.0 nM 10.1016/j.ejmech.2018.08.063
Homo sapiens HepG2 CC50 120030.0 nM 10.1016/j.ejmech.2018.08.063
Homo sapiens HepG2 CC50 nan None 10.1021/jm400246e
Homo sapiens HepG2 IC50 101000.0 nM 10.1016/j.bmcl.2017.09.030
Homo sapiens HERG AC50 20000.0 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 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 -10.12 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 2.75 % 10.6019/CHEMBL4808148
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens Activity 10.0 % 10.1016/j.ejmech.2008.08.011
Homo sapiens Homo sapiens AUC 442.97 ng.hr.mL-1 10.1093/toxsci/kft176
Homo sapiens Homo sapiens Css 0.071 uM 10.1093/toxsci/kft176
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens GSH level (mg) 47.4 % 10.1021/jm00369a031
Homo sapiens Homo sapiens GSH level (mg) 60.0 % 10.1021/jm00369a031
Homo sapiens Homo sapiens Methemoglobin 1.0 % 10.1021/jm00369a031
Homo sapiens Homo sapiens Methemoglobin 1.3 % 10.1021/jm00369a031
Homo sapiens Homo sapiens T1/2 336.0 hr 10.1016/j.ejmech.2008.08.011
Homo sapiens Homo sapiens T1/2 336.0 hr 10.1016/j.ejmech.2009.02.024
Homo sapiens Homo sapiens Tmax 12.0 hr 10.1016/j.ejmech.2008.08.011
Homo sapiens HSP60/HSP10 IC50 100000.0 nM 10.1016/j.bmcl.2019.02.028
Homo sapiens HT-29 IC50 69700.0 nM 10.1016/j.bmcl.2009.10.081
Homo sapiens Huh-7 Activity nan None 10.1039/C8MD00447A
Homo sapiens Huh-7 CC50 nan None 10.1016/j.ejmech.2013.09.008
Homo sapiens Huh-7 IC50 2400.0 nM 10.1021/acs.jmedchem.1c00498
Homo sapiens Huh-7 IC50 nan None 10.1021/ml4002985
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens Leukocyte common antigen IC50 nan None None
Homo sapiens Leukocyte common antigen Ki nan None None
Homo sapiens Leukocyte elastase IC50 nan None None
Homo sapiens Leukocyte elastase Ki nan None None
Homo sapiens 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 Activity nan None 10.1128/aac.00951-09
Homo sapiens MCF7 IC50 6900.0 nM 10.1016/j.bmcl.2009.10.081
Homo sapiens MCF7 IC50 28000.0 nM 10.1016/j.bmc.2009.06.030
Homo sapiens MCF7 IC50 nan None 10.1016/j.ejmech.2010.03.006
Homo sapiens MCF7 Inhibition 20.0 % 10.1016/j.bmc.2009.06.030
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 IC50 nan None 10.1016/j.bmc.2009.06.030
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A Activity nan None 10.1021/jm800656v
Homo sapiens Monoamine oxidase A IC50 75700.0 nM 10.1016/j.bmcl.2011.12.108
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Monoamine oxidase B IC50 94500.0 nM 10.1016/j.bmcl.2011.12.108
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 26054.3 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 4541.0 nM 10.1038/s41467-023-40064-9
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 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 NADH-cytochrome b5 reductase Activity 0.052 nM min-1 (mg of protein)-1 10.1016/s0960-894x(99)00058-x
Homo sapiens NADH-cytochrome b5 reductase Activity 0.067 nM min-1 (mg of protein)-1 10.1016/s0960-894x(99)00058-x
Homo sapiens NADH-cytochrome b5 reductase Methemoglobin 0.056 None 10.1016/S0960-894X(97)10074-9
Homo sapiens NADH-cytochrome b5 reductase Methemoglobin 0.065 None 10.1016/S0960-894X(97)10074-9
Homo sapiens NCI-H460 IC50 30000.0 nM 10.1016/j.bmc.2009.06.030
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 25466.0 nM 10.1038/s41467-023-40064-9
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 Phosphodiesterase 3A AC50 2900.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 3A AC50 22464.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 16236.8 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 12000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Plasma T1/2 4.0 hr 10.1039/C0MD00267D
Homo sapiens Plasma T1/2 336.0 hr 10.1021/jm3005898
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 Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 15400.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 20000.0 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 Quinone reductase 2 IC50 7500.0 nM 10.1016/j.bmcl.2010.10.070
Homo sapiens Quinone reductase 2 Inhibition nan % 10.1016/j.bmcl.2010.10.070
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Serine hydroxymethyltransferase, mitochondrial IC50 436.52 nM None
Homo sapiens Serine hydroxymethyltransferase, mitochondrial Inhibition 91.9 % 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 7615.5 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 IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 89.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 103.5 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 16.0 nM None
Homo sapiens Serotonin transporter Ki 8.405 nM None
Homo sapiens Serum albumin Ka 7.0 10^3/M 10.1016/j.bmc.2008.01.053
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SW-620 IC50 100000.0 nM 10.1016/j.bmc.2009.06.030
Homo sapiens Thiosulfate sulfurtransferase IC50 2900.0 nM 10.1016/j.bmcl.2019.02.028
Homo sapiens THP-1 Activity nan None 10.1128/aac.00951-09
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens 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 Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor 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
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 integrase IC50 5011872336272.71 nM 10.1007/s00044-011-9593-5
Lacticaseibacillus casei Lacticaseibacillus casei IC50 630000.0 nM 10.1021/jm00212a010
Lacticaseibacillus casei Lacticaseibacillus casei IC50 1300000.0 nM 10.1021/jm00212a010
Lacticaseibacillus casei Lacticaseibacillus casei Inhibition nan % 10.1021/jm00212a010
Lacticaseibacillus casei Lacticaseibacillus casei Ratio IC50 2.0 None 10.1021/jm00212a010
Leishmania donovani Leishmania donovani Activity nan None 10.1016/j.bmc.2006.10.036
Leishmania donovani Leishmania donovani IC50 19.9 ug.mL-1 10.1016/j.bmc.2006.10.036
Leishmania donovani Leishmania donovani IC50 19.9 ug.mL-1 10.1016/j.bmc.2010.11.036
Leishmania donovani Leishmania donovani IC50 19.9 ug.mL-1 10.1016/j.ejmech.2012.03.019
Leishmania donovani Leishmania donovani IC50 19.9 ug.mL-1 10.1039/C0MD00267D
Leishmania donovani Leishmania donovani IC90 nan None 10.1016/j.bmc.2010.11.036
Leishmania donovani Leishmania donovani IC90 nan None 10.1016/j.ejmech.2012.03.019
Leishmania donovani Leishmania donovani IC90 nan None 10.1039/C0MD00267D
Leishmania donovani Leishmania donovani Ratio 0.96 None 10.1021/jm00207a030
Leishmania infantum Leishmania infantum IC50 54900.0 nM 10.1128/aac.00587-08
Leishmania infantum Leishmania infantum IC50 nan None 10.1128/aac.00587-08
Leishmania major Leishmania major EC50 27730.0 nM 10.1128/aac.01545-10
Leishmania major Leishmania major EC50 53040.0 nM 10.1128/aac.01545-10
Leishmania major Leishmania major Ratio EC50 1.9 None 10.1128/aac.01545-10
Mastomys coucha Mastomys coucha Activity 3.4 % 10.1016/j.bmcl.2007.09.044
Mus musculus Mus musculus Activity 280.7 None 10.1016/s0960-894x(02)00802-8
Mus musculus Mus musculus Activity nan None 10.1016/j.ejmech.2018.08.063
Mus musculus Mus musculus Activity nan None 10.1021/jm00192a016
Mus musculus Mus musculus Activity nan None 10.1021/jm00197a016
Mus musculus Mus musculus Activity nan None 10.1021/jm00207a030
Mus musculus Mus musculus Activity nan None 10.1021/jm00218a026
Mus musculus Mus musculus Activity nan None 10.1021/jm00219a003
Mus musculus Mus musculus Antimalarial activity nan None 10.1021/jm0304562
Mus musculus Mus musculus Change in MST 9.0 None 10.1021/jm00150a035
Mus musculus Mus musculus CPD50 13.0 mg kg-1 10.1021/jm00159a034
Mus musculus Mus musculus CPD50 20.0 mg kg-1 10.1021/jm00159a034
Mus musculus Mus musculus Cure 0.0 % 10.1021/jm00159a034
Mus musculus Mus musculus Cure 13.0 % 10.1021/jm00159a034
Mus musculus Mus musculus Cure 20.0 % 10.1021/jm00159a034
Mus musculus Mus musculus Cure 69.0 % 10.1021/jm00159a034
Mus musculus Mus musculus Cures 5.0 None 10.1021/jm00351a017
Mus musculus Mus musculus Deaths 2.0 None 10.1021/jm00179a023
Mus musculus Mus musculus Deaths 5.0 None 10.1021/jm00179a023
Mus musculus Mus musculus Delta MST 2.0 day 10.1021/jm00350a016
Mus musculus Mus musculus Delta MST 4.0 day 10.1021/jm00179a023
Mus musculus Mus musculus Delta MST 4.0 None 10.1021/jm00351a018
Mus musculus Mus musculus Delta MST 5.0 day 10.1021/jm00179a023
Mus musculus Mus musculus Delta MST 5.0 day 10.1021/jm00350a016
Mus musculus Mus musculus Delta MST 5.0 None 10.1021/jm00351a018
Mus musculus Mus musculus Delta MST 5.0 None 10.1021/jm00390a012
Mus musculus Mus musculus Delta MST 9.0 None 10.1021/jm00399a032
Mus musculus Mus musculus Delta MST 9.4 day 10.1021/jm00179a023
Mus musculus Mus musculus Delta MST 9.4 day 10.1021/jm00350a016
Mus musculus Mus musculus Delta MST 9.4 None 10.1021/jm00351a018
Mus musculus Mus musculus Delta MST 9.4 None 10.1021/jm00390a012
Mus musculus Mus musculus ED50 2.2 umol.kg-1 10.1016/0960-894X(95)00400-N
Mus musculus Mus musculus LD10 13.0 mg kg-1 10.1021/jm00159a034
Mus musculus Mus musculus LD50 16.0 mg.kg-1 10.1021/jm00159a034
Mus musculus Mus musculus LD50 55.0 mg.kg-1 10.1016/j.bmcl.2007.09.044
Mus musculus Mus musculus MST 2.2 None 10.1021/jm00351a017
Mus musculus Mus musculus MST 4.2 None 10.1021/jm00351a017
Mus musculus Mus musculus MST 6.4 None 10.1021/jm00351a017
Mus musculus Mus musculus MST 7.0 None 10.1021/jm00351a017
Mus musculus Mus musculus MST nan None 10.1021/jm00128a010
Mus musculus Mus musculus No. of deaths 2.0 None 10.1021/jm00150a035
Mus musculus Mus musculus No. of deaths 5.0 None 10.1021/jm00150a035
Mus musculus Mus musculus Ratio 0.0 None 10.1016/s0960-894x(02)00802-8
Mus musculus Mus musculus Ratio 1.2 None 10.1021/jm00159a034
Mus musculus Mus musculus Ratio 18.0 None 10.1016/s0960-894x(02)00802-8
Mus musculus Mus musculus Toxic deaths 2.0 None 10.1021/jm00351a018
Mus musculus Mus musculus Toxic deaths 2.0 None 10.1021/jm00390a012
Mus musculus Mus musculus Toxic deaths 2.0 None 10.1021/jm00399a032
Mus musculus Mus musculus Toxic deaths 5.0 None 10.1021/jm00351a018
Mus musculus Mus musculus Toxic deaths 5.0 None 10.1021/jm00390a012
Mus musculus Mus musculus Toxic deaths 5.0 None 10.1021/jm00399a032
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus RAW264.7 IC50 38.7 ug.mL-1 10.1021/jm100911f
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 50.0 ug.mL-1 10.1016/j.bmc.2009.01.013
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC99 80.0 uM 10.1021/ml300362a
Mycobacterium tuberculosis Trehalose-binding lipoprotein LpqY Activity nan None 10.1039/d2md00104g
Naegleria gruberi Naegleria gruberi Inhibition 10.7 % 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
Plasmodium berghei Plasmodium berghei Activity 0.95 None 10.1016/j.bmcl.2008.05.076
Plasmodium berghei Plasmodium berghei Activity 2.0 None 10.1016/j.bmcl.2008.05.076
Plasmodium berghei Plasmodium berghei Activity 2.6 None 10.1016/j.ejmech.2009.02.024
Plasmodium berghei Plasmodium berghei Activity 2.9 % 10.1021/jm900738c
Plasmodium berghei Plasmodium berghei Activity 28.0 % 10.1016/j.ejmech.2009.02.024
Plasmodium berghei Plasmodium berghei Activity 40.0 % 10.1021/jm900738c
Plasmodium berghei Plasmodium berghei Activity 41.7 % 10.1016/j.bmcl.2008.05.076
Plasmodium berghei Plasmodium berghei Activity 42.9 % 10.1016/j.bmcl.2008.05.076
Plasmodium berghei Plasmodium berghei Activity 100.0 % 10.1021/acs.jmedchem.0c00539
Plasmodium berghei Plasmodium berghei Activity 100.0 % 10.1021/acs.jmedchem.8b01961
Plasmodium berghei Plasmodium berghei Activity 454.0 None 10.1016/j.ejmech.2021.113227
Plasmodium berghei Plasmodium berghei Activity nan None 10.1016/j.bmc.2006.10.036
Plasmodium berghei Plasmodium berghei Activity nan None 10.1016/j.bmc.2010.11.036
Plasmodium berghei Plasmodium berghei Activity nan None 10.1021/acs.jmedchem.0c00539
Plasmodium berghei Plasmodium berghei Activity nan None 10.1021/jm5004528
Plasmodium berghei Plasmodium berghei Activity nan None 10.1039/C8MD00447A
Plasmodium berghei Plasmodium berghei Delta MST 4.0 None 10.1021/jm00390a012
Plasmodium berghei Plasmodium berghei ED50 nan None 10.1016/j.bmcl.2007.09.044
Plasmodium berghei Plasmodium berghei IC50 3.4 ug.mL-1 10.1016/j.bmcl.2014.07.050
Plasmodium berghei Plasmodium berghei IC50 1100.0 nM 10.1016/j.ejmech.2021.113865
Plasmodium berghei Plasmodium berghei IC50 2000.0 nM 10.1021/jm900738c
Plasmodium berghei Plasmodium berghei IC50 2400.0 nM 10.1021/acs.jmedchem.0c00033
Plasmodium berghei Plasmodium berghei IC50 3650.0 nM 10.1016/j.ejmech.2018.04.038
Plasmodium berghei Plasmodium berghei IC50 3650.0 nM 10.1016/j.ejmech.2018.08.063
Plasmodium berghei Plasmodium berghei IC50 6000.0 nM 10.1021/acs.jmedchem.2c01516
Plasmodium berghei Plasmodium berghei IC50 6250.0 nM 10.1021/acs.jmedchem.8b01769
Plasmodium berghei Plasmodium berghei IC50 7500.0 nM 10.1016/j.bmc.2014.12.018
Plasmodium berghei Plasmodium berghei IC50 7500.0 nM 10.1016/j.ejmech.2013.09.008
Plasmodium berghei Plasmodium berghei IC50 7500.0 nM 10.1021/jm301654b
Plasmodium berghei Plasmodium berghei IC50 7500.0 nM 10.1021/jm400246e
Plasmodium berghei Plasmodium berghei IC50 7500.0 nM 10.1021/jm4011466
Plasmodium berghei Plasmodium berghei IC50 7500.0 nM 10.1021/ml4002985
Plasmodium berghei Plasmodium berghei IC50 7500.0 nM 10.1021/np400083k
Plasmodium berghei Plasmodium berghei IC50 7500.0 nM 10.1039/C2MD20113E
Plasmodium berghei Plasmodium berghei IC50 8000.0 nM 10.1016/j.bmcl.2012.12.032
Plasmodium berghei Plasmodium berghei IC50 8400.0 nM 10.1016/j.ejmech.2019.111640
Plasmodium berghei Plasmodium berghei IC50 8400.0 nM 10.1016/j.ejmech.2019.111927
Plasmodium berghei Plasmodium berghei IC50 8420.0 nM 10.1021/acs.jmedchem.6b01641
Plasmodium berghei Plasmodium berghei IC50 8428.0 nM 10.1016/j.ejmech.2015.06.045
Plasmodium berghei Plasmodium berghei IC50 9500.0 nM 10.1016/j.bmc.2016.03.005
Plasmodium berghei Plasmodium berghei IC50 13000.0 nM 10.1021/jm201095h
Plasmodium berghei Plasmodium berghei IC50 13800.0 nM 10.1021/acs.jmedchem.0c00539
Plasmodium berghei Plasmodium berghei IC50 17200.0 nM 10.1016/j.bmcl.2017.09.030
Plasmodium berghei Plasmodium berghei Inhibition 2.2 % 10.1021/ml4002985
Plasmodium berghei Plasmodium berghei Inhibition 35.5 % 10.1021/ml4002985
Plasmodium berghei Plasmodium berghei Inhibition 50.0 % 10.1016/j.ejmech.2021.113227
Plasmodium berghei Plasmodium berghei Inhibition 50.0 % 10.1021/jm400325j
Plasmodium berghei Plasmodium berghei Inhibition 62.0 % 10.1021/acs.jmedchem.5b01374
Plasmodium berghei Plasmodium berghei Inhibition 99.0 % 10.1021/acs.jmedchem.7b00738
Plasmodium berghei Plasmodium berghei Inhibition nan % 10.1016/j.ejmech.2021.113227
Plasmodium berghei Plasmodium berghei MAC 60.0 mg/kg/day 10.1021/jm100911f
Plasmodium berghei Plasmodium berghei MCD 160.0 mg kg-1 10.1021/jm00212a010
Plasmodium berghei Plasmodium berghei MED 40.0 mg kg-1 10.1021/jm00212a010
Plasmodium berghei Plasmodium berghei MSD 4.0 day 10.1021/jm00197a016
Plasmodium berghei Plasmodium berghei MSD 5.0 day 10.1021/jm00197a016
Plasmodium berghei Plasmodium berghei MSD 9.4 day 10.1021/jm00197a016
Plasmodium berghei Plasmodium berghei MST 4.0 day 10.1021/jm00192a016
Plasmodium berghei Plasmodium berghei MST 5.0 day 10.1021/jm00192a016
Plasmodium berghei Plasmodium berghei MST 5.0 day 10.1021/jm00219a003
Plasmodium berghei Plasmodium berghei MST 9.4 day 10.1021/jm00192a016
Plasmodium berghei Plasmodium berghei MST 9.4 day 10.1021/jm00219a003
Plasmodium berghei Plasmodium berghei MTD 120.0 mg/kg/day 10.1021/jm100911f
Plasmodium berghei Plasmodium berghei Survival 4.0 day 10.1021/jm00218a026
Plasmodium berghei Plasmodium berghei Survival 5.0 day 10.1021/jm00218a026
Plasmodium berghei Plasmodium berghei Survival 9.4 day 10.1021/jm00207a030
Plasmodium berghei Plasmodium berghei Survival 9.4 day 10.1021/jm00218a026
Plasmodium berghei Plasmodium berghei Survival 10.8 day 10.1021/jm00207a030
Plasmodium berghei Plasmodium berghei Toxic deaths 5.0 None 10.1021/jm00390a012
Plasmodium cynomolgi Plasmodium cynomolgi Activity nan None 10.1021/jm00192a016
Plasmodium cynomolgi Plasmodium cynomolgi Activity nan None 10.1021/jm00194a024
Plasmodium cynomolgi Plasmodium cynomolgi Activity nan None 10.1021/jm00218a026
Plasmodium cynomolgi Plasmodium cynomolgi Activity nan None 10.1021/jm00219a003
Plasmodium cynomolgi Plasmodium cynomolgi Antimalarial activity nan None 10.1021/jm00128a010
Plasmodium cynomolgi Plasmodium cynomolgi Cured animals 0.0 None 10.1021/jm00350a016
Plasmodium cynomolgi Plasmodium cynomolgi Cured animals 4.0 None 10.1021/jm00350a016
Plasmodium cynomolgi Plasmodium cynomolgi Cured animals 10.0 None 10.1021/jm00350a016
Plasmodium cynomolgi Plasmodium cynomolgi Cures 0.0 None 10.1021/jm00149a004
Plasmodium cynomolgi Plasmodium cynomolgi Cures 0.0 None 10.1021/jm00159a042
Plasmodium cynomolgi Plasmodium cynomolgi Cures 0.0 None 10.1021/jm00351a018
Plasmodium cynomolgi Plasmodium cynomolgi Cures 0.0 None 10.1021/jm00399a032
Plasmodium cynomolgi Plasmodium cynomolgi Cures 1.0 None 10.1021/jm00149a004
Plasmodium cynomolgi Plasmodium cynomolgi Cures 1.0 None 10.1021/jm00351a017
Plasmodium cynomolgi Plasmodium cynomolgi Cures 1.0 None 10.1021/jm00399a032
Plasmodium cynomolgi Plasmodium cynomolgi Cures 2.0 None 10.1021/jm00351a017
Plasmodium cynomolgi Plasmodium cynomolgi Cures 4.0 None 10.1021/jm00159a042
Plasmodium cynomolgi Plasmodium cynomolgi Cures 9.0 None 10.1021/jm00351a018
Plasmodium cynomolgi Plasmodium cynomolgi Cures 10.0 None 10.1021/jm00351a018
Plasmodium cynomolgi Plasmodium cynomolgi Cures/no. of animals 0.0 None 10.1021/jm00390a012
Plasmodium cynomolgi Plasmodium cynomolgi Cures/no. of animals 1.0 None 10.1021/jm00390a012
Plasmodium cynomolgi Plasmodium cynomolgi ED50 0.38 mg.kg-1 10.1021/jm201095h
Plasmodium cynomolgi Plasmodium cynomolgi No. of cures 0.0 None 10.1021/jm00150a035
Plasmodium cynomolgi Plasmodium cynomolgi No. of cures 1.0 None 10.1021/jm00150a035
Plasmodium cynomolgi Plasmodium cynomolgi TIME 120.0 hr 10.1016/j.bmc.2010.12.028
Plasmodium cynomolgi Plasmodium cynomolgi TIME 120.0 hr 10.1021/jm200111g
Plasmodium cynomolgi Plasmodium cynomolgi TIME 120.0 hr 10.1021/jm200503s
Plasmodium cynomolgi Plasmodium cynomolgi TIME 264.0 hr 10.1021/jm00192a016
Plasmodium cynomolgi Plasmodium cynomolgi TIME 312.0 hr 10.1016/j.bmc.2010.12.028
Plasmodium falciparum Chloroquine resistance transporter IC50 68000.0 nM 10.1021/ml5000228
Plasmodium falciparum Chloroquine resistance transporter Inhibition nan % 10.1021/ml5000228
Plasmodium falciparum Histidine-rich protein IC50 nan None 10.1128/aac.00288-07
Plasmodium falciparum Phosphoethanolamine N-methyltransferase IC50 460000.0 nM 10.1016/j.bmcl.2012.06.032
Plasmodium falciparum Plasmodium falciparum IC50 0.115 ug well-1 10.1016/s0960-894x(02)00802-8
Plasmodium falciparum Plasmodium falciparum IC50 0.9 ug.mL-1 10.1021/jm100911f
Plasmodium falciparum Plasmodium falciparum IC50 2.0 ug.mL-1 10.1016/j.bmc.2006.10.036
Plasmodium falciparum Plasmodium falciparum IC50 2.0 ug.mL-1 10.1016/j.bmc.2010.11.036
Plasmodium falciparum Plasmodium falciparum IC50 2.0 ug.mL-1 10.1016/j.ejmech.2012.03.019
Plasmodium falciparum Plasmodium falciparum IC50 2.0 ug.mL-1 10.1039/C0MD00267D
Plasmodium falciparum Plasmodium falciparum IC50 2.1 ug.mL-1 10.1021/jm100911f
Plasmodium falciparum Plasmodium falciparum IC50 2.8 ug.mL-1 10.1016/j.bmc.2006.10.036
Plasmodium falciparum Plasmodium falciparum IC50 2.8 ug.mL-1 10.1016/j.bmc.2010.11.036
Plasmodium falciparum Plasmodium falciparum IC50 2.8 ug.mL-1 10.1016/j.ejmech.2012.03.019
Plasmodium falciparum Plasmodium falciparum IC50 2.8 ug.mL-1 10.1039/C0MD00267D
Plasmodium falciparum Plasmodium falciparum IC50 6.17 nM 10.1128/aac.00951-09
Plasmodium falciparum Plasmodium falciparum IC50 7.14 nM 10.1128/aac.00951-09
Plasmodium falciparum Plasmodium falciparum IC50 8.9 nM 10.1128/aac.00951-09
Plasmodium falciparum Plasmodium falciparum IC50 326.0 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum IC50 400.0 nM 10.1016/j.ejmech.2018.04.038
Plasmodium falciparum Plasmodium falciparum IC50 400.0 nM 10.1016/j.ejmech.2018.08.063
Plasmodium falciparum Plasmodium falciparum IC50 460.0 nM 10.1016/j.ejmech.2014.11.022
Plasmodium falciparum Plasmodium falciparum IC50 643.0 nM 10.1021/ml300362a
Plasmodium falciparum Plasmodium falciparum IC50 800.0 nM 10.1021/jm3005898
Plasmodium falciparum Plasmodium falciparum IC50 892.0 nM 10.1016/j.ejmech.2015.06.045
Plasmodium falciparum Plasmodium falciparum IC50 1100.0 nM 10.1016/j.ejmech.2018.08.063
Plasmodium falciparum Plasmodium falciparum IC50 1180.0 nM 10.1016/j.ejmech.2018.04.038
Plasmodium falciparum Plasmodium falciparum IC50 1320.0 nM 10.1128/aac.00967-06
Plasmodium falciparum Plasmodium falciparum IC50 1470.0 nM 10.1016/j.bmcl.2015.01.003
Plasmodium falciparum Plasmodium falciparum IC50 1540.0 nM 10.1128/aac.00967-06
Plasmodium falciparum Plasmodium falciparum IC50 1890.0 nM 10.1016/j.bmcl.2016.03.027
Plasmodium falciparum Plasmodium falciparum IC50 1900.0 nM 10.1016/j.bmc.2020.115832
Plasmodium falciparum Plasmodium falciparum IC50 2100.0 nM 10.1021/jm3005898
Plasmodium falciparum Plasmodium falciparum IC50 2350.0 nM 10.1016/j.bmcl.2017.09.030
Plasmodium falciparum Plasmodium falciparum IC50 3300.0 nM 10.1016/j.bmcl.2008.05.076
Plasmodium falciparum Plasmodium falciparum IC50 3300.0 nM 10.1021/jm900738c
Plasmodium falciparum Plasmodium falciparum IC50 3300.0 nM 10.1021/ml4002985
Plasmodium falciparum Plasmodium falciparum IC50 3340.0 nM 10.1016/j.bmcl.2007.11.105
Plasmodium falciparum Plasmodium falciparum IC50 4400.0 nM 10.1016/j.ejmech.2021.113227
Plasmodium falciparum Plasmodium falciparum IC50 4580.0 nM 10.1128/aac.00967-06
Plasmodium falciparum Plasmodium falciparum IC50 5160.0 nM 10.1016/j.bmcl.2017.09.030
Plasmodium falciparum Plasmodium falciparum IC50 5700.0 nM 10.1016/j.ejmech.2021.113227
Plasmodium falciparum Plasmodium falciparum IC50 5770.0 nM 10.1016/j.bmcl.2017.09.030
Plasmodium falciparum Plasmodium falciparum IC50 5860.0 nM 10.1021/jm4004279
Plasmodium falciparum Plasmodium falciparum IC50 6090.0 nM 10.1021/jm4004279
Plasmodium falciparum Plasmodium falciparum IC50 6830.0 nM 10.1016/j.bmcl.2008.07.013
Plasmodium falciparum Plasmodium falciparum IC50 6830.0 nM 10.1016/j.ejmech.2010.03.006
Plasmodium falciparum Plasmodium falciparum IC50 6870.0 nM 10.1016/j.bmcl.2008.07.013
Plasmodium falciparum Plasmodium falciparum IC50 6870.0 nM 10.1016/j.ejmech.2010.03.006
Plasmodium falciparum Plasmodium falciparum IC50 7250.0 nM 10.1016/j.bmcl.2008.07.013
Plasmodium falciparum Plasmodium falciparum IC50 7700.0 nM 10.1016/j.bmcl.2008.07.013
Plasmodium falciparum Plasmodium falciparum IC50 9650.0 nM 10.1016/j.bmcl.2008.07.013
Plasmodium falciparum Plasmodium falciparum IC50 9860.0 nM 10.1016/j.ejmech.2018.08.063
Plasmodium falciparum Plasmodium falciparum IC50 10000.0 nM 10.1016/j.bmcl.2007.09.044
Plasmodium falciparum Plasmodium falciparum IC50 10000.0 nM 10.1016/j.ejmech.2019.111983
Plasmodium falciparum Plasmodium falciparum IC50 105000.0 nM 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.ejmech.2019.111927
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/s0960-894x(02)00802-8
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1021/jm4011466
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1128/aac.00288-07
Plasmodium falciparum Plasmodium falciparum IC90 0.38 ug well-1 10.1016/s0960-894x(02)00802-8
Plasmodium falciparum Plasmodium falciparum IC90 nan None 10.1016/s0960-894x(02)00802-8
Plasmodium falciparum Plasmodium falciparum Inhibition 40.0 % 10.1021/jm4004279
Plasmodium falciparum Plasmodium falciparum Inhibition 50.0 % 10.1021/jm400325j
Plasmodium falciparum Plasmodium falciparum Inhibition 90.0 % 10.1021/acs.jnatprod.9b00362
Plasmodium falciparum Plasmodium falciparum Inhibition nan % 10.1016/j.bmc.2012.06.038
Plasmodium falciparum Plasmodium falciparum Ratio IC50 5.0 None 10.1128/aac.01689-08
Plasmodium gallinaceum Plasmodium gallinaceum Activity 7.0 % 10.1016/j.bmc.2020.115832
Plasmodium gallinaceum Plasmodium gallinaceum Activity 41.0 None 10.1016/j.bmc.2020.115832
Plasmodium gallinaceum Plasmodium gallinaceum Activity 45.0 % 10.1016/j.bmc.2020.115832
Plasmodium gallinaceum Plasmodium gallinaceum Activity 85.0 % 10.1016/j.bmc.2020.115832
Plasmodium gallinaceum Plasmodium gallinaceum Activity 100.0 % 10.1016/j.bmc.2020.115832
Plasmodium gallinaceum Plasmodium gallinaceum Inhibition 100.0 % 10.1016/j.bmc.2020.115832
Plasmodium yoelii Plasmodium yoelii Activity 100.0 % 10.1016/j.ejmech.2018.08.063
Plasmodium yoelii Plasmodium yoelii Activity nan None 10.1016/j.ejmech.2018.08.063
Plasmodium yoelii Plasmodium yoelii IC50 75.0 nM 10.1021/jm201095h
Plasmodium yoelii Plasmodium yoelii IC50 1000.0 nM 10.1021/jm400325j
Plasmodium yoelii Plasmodium yoelii IC50 1160.0 nM 10.1016/j.ejmech.2015.03.011
Plasmodium yoelii Plasmodium yoelii IC50 2130.0 nM 10.1016/j.ejmech.2018.08.063
Plasmodium yoelii Plasmodium yoelii TIME 24.0 hr 10.1016/j.ejmech.2018.08.063
Plasmodium yoelii nigeriensis Plasmodium yoelii nigeriensis ED50 nan None 10.1016/j.bmcl.2007.09.044
Plasmodium yoelii yoelii Plasmodium yoelii yoelii IC50 75.7 nM 10.1021/jm201095h
Plasmodium yoelii yoelii Plasmodium yoelii yoelii IC50 75.7 nM 10.1128/aac.01043-07
Plasmodium yoelii yoelii Plasmodium yoelii yoelii IC50 640.0 nM 10.1016/j.bmc.2008.04.033
Plasmodium yoelii yoelii Plasmodium yoelii yoelii Inhibition 80.0 % 10.1016/j.bmc.2008.04.033
Pneumocystis carinii Pneumocystis carinii Activity nan None 10.1021/jm900738c
Pneumocystis carinii Pneumocystis carinii Activity nan None 10.1128/aac.00645-07
Pneumocystis carinii Pneumocystis carinii IC50 2500.0 nM 10.1016/j.bmcl.2007.11.105
Pneumocystis carinii Pneumocystis carinii IC50 3500.0 nM 10.1021/jm900738c
Pneumocystis carinii Pneumocystis carinii IC50 8500.0 nM 10.1021/jm900738c
Pneumocystis carinii Pneumocystis carinii IC50 18100.0 nM 10.1021/jm900738c
Pneumocystis carinii Pneumocystis carinii Infection score 4.3 None 10.1016/s0960-894x(00)00436-4
Pneumocystis carinii Pneumocystis carinii MEC 0.02 uM 10.1021/jm00024a001
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC50 65.0 ug.mL-1 10.1016/j.ejmech.2016.08.021
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC50 70.0 ug.mL-1 10.1016/j.ejmech.2016.08.021
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 Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Hepatocyte Inhibition 1.0 % 10.1016/j.ejmech.2008.08.011
Rattus norvegicus Hepatocyte Inhibition 2.0 % 10.1016/j.ejmech.2008.08.011
Rattus norvegicus Hepatocyte Inhibition 4.0 % 10.1016/j.ejmech.2008.08.011
Rattus norvegicus Hepatocyte Inhibition 7.0 % 10.1016/j.ejmech.2008.08.011
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 Activity 0.0 None 10.1021/jm0504252
Rattus norvegicus Rattus norvegicus Activity 2.0 None 10.1021/jm0504252
Rattus norvegicus Rattus norvegicus Activity 5.0 None 10.1021/jm0504252
Rattus norvegicus Rattus norvegicus ALB 35700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 36300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 37300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 38800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 304.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 308.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 316.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 323.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 336.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 391.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 26.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 27.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 32.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 35.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 38.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 83.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 56.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 61.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 65.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 69.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 78.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 358.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 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 6.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 7.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 100.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 116.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 120.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 153.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 186.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 106.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 108.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 651.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 673.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 710.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 721.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 753.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 776.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 141.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 151.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 161.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 161.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 174.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 213.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 5.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 5.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 6.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 6.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 7.5 ug.mL-1 10.6019/CHEMBL3885881
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 EOSLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1693.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1760.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1770.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1773.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1780.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1926.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.77 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.53 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.94 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 37.73 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 40.02 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 40.07 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 137300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 140700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 145800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 154000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 157300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 158300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LD50 177.0 mg.kg-1 10.1021/jm00128a010
Rattus norvegicus Rattus norvegicus LD50 244.0 mg.kg-1 10.1021/jm00128a010
Rattus norvegicus Rattus norvegicus LYMLE 76.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 79.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 84.8 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 85.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.53 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.57 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.58 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.37 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.47 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.87 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 393000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 394400.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 396000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 396200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 407700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 410000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.37 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.55 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.76 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.87 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.0 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.83 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.4 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 3.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 12.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 13.8 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 16.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 20.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 97.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 102.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 103.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 105.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 112.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 778330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1053000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1053670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1065000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1068800.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.03 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.18 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.27 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.4 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.57 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.8 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 56300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 65500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5530000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5750000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6190000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6360000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6700000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6720000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 148.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 148.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 149.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 149.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 150.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 151.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 9500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10600.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11030.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11540.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11630.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13030.0 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
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.08859 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
Staphylococcus aureus Staphylococcus aureus MIC50 60.0 ug.mL-1 10.1016/j.ejmech.2016.08.021
Staphylococcus aureus Staphylococcus aureus MIC50 70.0 ug.mL-1 10.1016/j.ejmech.2016.08.021
None ADMET Activity 10.0 % 10.1016/j.bmc.2010.11.036
None ADMET Activity 47.9 % 10.1016/j.bmc.2006.10.036
None ADMET Activity nan None 10.1039/C3MD00019B
None ADMET Activity nan None 10.1128/aac.00288-07
None ADMET AUC 1256.0 ng.hr.mL-1 10.1021/acs.jmedchem.0c00539
None ADMET AUC 1256.0 ng.hr.mL-1 10.1021/acs.jmedchem.8b01961
None ADMET AUC 1314.0 ng.hr.mL-1 10.1021/acs.jmedchem.0c00539
None ADMET AUC 1314.0 ng.hr.mL-1 10.1021/acs.jmedchem.8b01961
None ADMET AUC 27450.0 ng.hr.mL-1 10.1021/acs.jmedchem.0c00539
None ADMET AUC 27450.0 ng.hr.mL-1 10.1021/acs.jmedchem.8b01961
None ADMET AUC 27665.0 ng.hr.mL-1 10.1021/acs.jmedchem.0c00539
None ADMET AUC 27665.0 ng.hr.mL-1 10.1021/acs.jmedchem.8b01961
None ADMET Biotransformation nan None 10.1038/s41586-019-1291-3
None ADMET CL 3.0 mL.min-1.g-1 10.6019/CHEMBL3301361
None ADMET CL 5.8 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET CL 12.07 mL.min-1.kg-1 10.1021/acs.jmedchem.8b01961
None ADMET CL 273.58 mL.min-1.kg-1 10.1021/acs.jmedchem.8b01961
None ADMET CL/F 12.07 mL.min-1.kg-1 10.1021/acs.jmedchem.0c00539
None ADMET CL/F 273.59 mL.min-1.kg-1 10.1021/acs.jmedchem.0c00539
None ADMET Cmax 2047.43 nM 10.1021/acs.jmedchem.0c00539
None ADMET Cmax 2047.43 nM 10.1021/acs.jmedchem.8b01961
None ADMET Cmax 31417.0 nM 10.1021/acs.jmedchem.0c00539
None ADMET Cmax 31417.0 nM 10.1021/acs.jmedchem.8b01961
None ADMET delta logD -0.9 None 10.1021/jm0000564
None ADMET Drugexcretion 1.0 % 10.1016/j.ejmech.2020.112955
None ADMET F 79.0 % 10.1021/jm0000564
None ADMET IC50 nan None 10.1016/j.bmc.2016.03.005
None ADMET MLD50 451.7 uM 10.1016/j.bmcl.2016.03.027
None ADMET MRT 2.3 hr 10.1021/acs.jmedchem.0c00539
None ADMET MRT 2.3 hr 10.1021/acs.jmedchem.8b01961
None ADMET MRT 4.5 hr 10.1021/acs.jmedchem.0c00539
None ADMET MRT 4.5 hr 10.1021/acs.jmedchem.8b01961
None ADMET MRT 11.0 hr 10.1124/dmd.108.020479
None ADMET PPB 59.66 % 10.6019/CHEMBL3301361
None ADMET Ratio LD50/ED50 nan None 10.1016/j.bmcl.2007.09.044
None ADMET Stability nan % 10.1016/j.ejmech.2009.02.024
None ADMET T1/2 0.35 hr 10.1021/jm100911f
None ADMET T1/2 1.0 hr 10.1021/jm100911f
None ADMET T1/2 1.84 hr 10.1021/acs.jmedchem.0c00539
None ADMET T1/2 1.84 hr 10.1021/acs.jmedchem.8b01961
None ADMET T1/2 4.27 hr 10.1021/acs.jmedchem.0c00539
None ADMET T1/2 4.27 hr 10.1021/acs.jmedchem.8b01961
None ADMET T1/2 7.1 hr 10.1124/dmd.108.020479
None ADMET TC50 70.5 uM 10.1016/j.bmc.2008.04.033
None ADMET TI 18.43 None 10.1021/jm100911f
None ADMET TI 43.0 None 10.1021/jm100911f
None ADMET Tmax 0.5 hr 10.1021/acs.jmedchem.0c00539
None ADMET Tmax 0.5 hr 10.1021/acs.jmedchem.8b01961
None ADMET Vd 4.418 L.kg-1 10.1021/acs.jmedchem.8b01961
None ADMET Vd 43.8 L.kg-1 10.1021/acs.jmedchem.8b01961
None ADMET Vd/F 4.418 L.kg-1 10.1021/acs.jmedchem.0c00539
None ADMET Vd/F 43.8 L.kg-1 10.1021/acs.jmedchem.0c00539
None ADMET Vdss 4.0 L.kg-1 10.1124/dmd.108.020479
None Hepatocyte TC50 12.5 10'3nM 10.1128/aac.01043-07
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LTKB_BD DILI severity score nan None 10.1016/j.drudis.2011.05.007
None NON-PROTEIN TARGET Activity 3.9 % 10.1016/j.bmc.2011.11.059
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmc.2011.11.059
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) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 None 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 1400.0 nM 10.1021/np400083k
None NON-PROTEIN TARGET IC50 540000.0 nM 10.1021/jm00212a010
None NON-PROTEIN TARGET IC50 580000.0 nM 10.1021/jm00212a010
None NON-PROTEIN TARGET Inhibition nan % 10.1021/jm00212a010
None NON-PROTEIN TARGET MIC50 350.0 ug.mL-1 10.1016/j.ejmech.2016.08.021
None No relevant target IC50 10.0 equiv 10.1039/C5MD00115C
None No relevant target IC50 45.0 % 10.1016/j.bmc.2009.06.030
None No relevant target IC50 1000000.0 nM 10.1039/C0MD00267D
None No relevant target LogD -2.19 None 10.1021/jm0000564
None No relevant target LogP 2.76 None 10.1021/jm900738c
None No relevant target LogP 3.0 None 10.1021/jm801441s
None No relevant target LogP 3.8 None 10.1021/jm801441s
None No relevant target logS0 -2.52 None 10.1021/jm701587d
None No relevant target pKa 10.03 None 10.1007/s11095-013-1232-z
None No relevant target pKa 10.3 None 10.1021/jm0000564
None No relevant target Solubility 56400.0 ug.mL-1 10.1021/jm900738c
None No relevant target t1/2 nan None 10.1016/j.ejmech.2009.02.024
None Radical scavenging activity Activity 17.2 % 10.1016/j.bmc.2009.06.030
None Radical scavenging activity Activity 18.1 % 10.1016/j.bmc.2009.06.030
None Radical scavenging activity Activity 19.0 % 10.1016/j.bmc.2009.06.030
None Radical scavenging activity Activity 21.9 % 10.1016/j.bmc.2009.06.030
None Unchecked Ac50 3.548 uM None
None Unchecked Ac50 5.012 uM None
None Unchecked Ac50 7.079 uM None
None Unchecked Ac50 25.12 uM None
None Unchecked Ac50 28.18 uM None
None Unchecked Ac50 31.62 uM None
None Unchecked AC50 3548.1 nM None
None Unchecked AC50 5011.9 nM None
None Unchecked AC50 7079.5 nM None
None Unchecked AC50 25118.9 nM None
None Unchecked AC50 28190.0 nM None
None Unchecked AC50 31622.8 nM None
None Unchecked Activity 0.0 None 10.1021/jm0494624
None Unchecked Activity 28.0 None 10.1021/jm0494624
None Unchecked Activity 93.0 None 10.1021/jm0494624
None Unchecked Activity nan None 10.1016/j.bmcl.2020.127336
None Unchecked Activity nan None 10.1128/aac.00288-07
None Unchecked CC50 120000.0 nM 10.1016/j.ejmech.2018.04.038
None Unchecked Hepatotoxicity (acute) 1.0 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) 0.0 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) 1.0 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 1881.7 nM None
None Unchecked IC50 10000.0 nM None
None Unchecked IC50 19036.9 nM None
None Unchecked IC50 20000.0 nM None
None Unchecked IC50 63000.0 nM 10.1016/j.bmcl.2019.02.028
None Unchecked IC50 970000.0 nM 10.1016/j.bmcl.2004.05.031
None Unchecked IC50 1000000.0 nM 10.1016/j.bmc.2010.11.036
None Unchecked IC50 1000000.0 nM 10.1016/j.ejmech.2012.03.019
None Unchecked IC50 nan None 10.1021/jm400246e
None Unchecked IC50 nan None None
None Unchecked Infectedmosquitoes 0.0 % 10.1021/jm0494624
None Unchecked Infectedmosquitoes 10.0 % 10.1021/jm0494624
None Unchecked Infectedmosquitoes 50.0 % 10.1021/jm0494624
None Unchecked INH 74.0 uM 10.1016/j.bmc.2009.06.030
None Unchecked Inhibition nan % 10.1016/j.bmcl.2020.127336
None Unchecked Ka 4.2 10^5/M 10.1016/j.bmc.2008.01.053
None Unchecked Ki nan None None
None Unchecked logKA nan None 10.1021/jm400246e
None Unchecked MDL50 482.6 uM 10.1016/j.bmc.2020.115832
None Unchecked Ratio 0.002 None 10.1093/toxsci/kft176
None Unchecked Ratio 1.0 None 10.1021/jm00128a010
None Unchecked Ratio 110.0 None 10.1016/j.bmc.2008.04.033
None Unchecked Ratio 255.0 None 10.1016/j.bmc.2020.115832
None Unchecked Ratio CC50/IC50 5.3 None 10.1016/j.ejmech.2015.03.011
None Unchecked Ratio CC50/IC50 32.76 None 10.1016/j.ejmech.2018.08.063
None Unchecked Ratio CC50/IC50 32.9 None 10.1016/j.ejmech.2018.04.038
None Unchecked Ratio CC50/IC50 32.95 None 10.1016/j.ejmech.2018.08.063
None Unchecked Ratio CC50/IC50 109.11 None 10.1016/j.ejmech.2018.08.063
None Unchecked Ratio CC50/IC50 135.0 None 10.1016/j.ejmech.2018.04.038
None Unchecked Ratio CC50/IC50 135.53 None 10.1016/j.ejmech.2018.08.063
None Unchecked Ratio IC50 0.8 None 10.1016/j.bmcl.2011.12.108
None Unchecked Ratio IC50 1.0 None 10.1021/jm00212a010
None Unchecked Ratio IC50 8.5 None 10.1016/j.ejmech.2012.03.019
None Unchecked Ratio IC50 8.5 None 10.1039/C0MD00267D
None Unchecked Ratio IC50 11.9 None 10.1016/j.ejmech.2012.03.019
None Unchecked Ratio IC50 11.9 None 10.1039/C0MD00267D
None Unchecked Ratio IC50 44.0 None 10.1016/j.bmcl.2008.07.013
None Unchecked Ratio IC50 47.0 None 10.1016/j.bmcl.2008.07.013
None Unchecked Ratio IC50 49.0 None 10.1016/j.bmcl.2008.07.013
None Unchecked Selectivity index 8.5 None 10.1016/j.bmc.2006.10.036
None Unchecked Selectivity index 11.9 None 10.1016/j.bmc.2006.10.036
None Unchecked Selectivity Index 165.0 None 10.1128/aac.01043-07
None Unchecked Selectivity Index 239.0 None 10.1016/j.bmcl.2016.03.027

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011590 COc1cc(NC(C)CCCNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2ccccc2)c2ncccc2c1>>COc1cc(NC(C)CCCN)c2ncccc2c1 enzymemap_72929
AKRT011592 COc1cc(NC(C)CCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)c2ncccc2c1>>COc1cc(NC(C)CCCN)c2ncccc2c1 enzymemap_72928
AKRT011593 COc1cc(NC(C)CCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2ccccc2)c2ncccc2c1>>COc1cc(NC(C)CCCN)c2ncccc2c1 enzymemap_72930