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Aminosalicylic Acid

AlkaPlorer ID: AK015036

Synonym: None

IUPAC Name: 4-amino-2-hydroxybenzoic acid

Structure

SMILES: NC1=CC=C(C(=O)O)C(O)=C1

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InChI: InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)

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InChIKey: WUBBRNOQWQTFEX-UHFFFAOYSA-N

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Reference

PubChem CID: 4649

CAS: 6018-19-5

NPASS: NPC301702

COCONUT: CNP0313106

Source

Species Genus Family Order Class Phylum Kingdom Domain
Senecio scandens Senecio Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 153.137

TPSA？: 83.55000000000001

MolLogP？: 0.6726000000000001

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Agaricus bisporus Tyrosinase Inhibition 55.0 % 10.1021/jm101266s
Bacillus anthracis Anthrax lethal factor Inhibition 30.0 % 10.1021/jm101266s
Bacillus cereus Bacillus cereus IZ 9.0 mm 10.1016/j.bmcl.2019.126660
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Burkholderia thailandensis Burkholderia thailandensis IZ 12.0 mm 10.1016/j.bmcl.2019.126660
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
Corynebacterium pseudodiphtheriticum Corynebacterium pseudodiphtheriticum IZ 0.0 mm 10.1016/j.bmcl.2019.126660
Corynebacterium xerosis Corynebacterium xerosis IZ 0.0 mm 10.1016/j.bmcl.2019.126660
Cryptosporidium parvum Cryptosporidium parvum IC50 nan None 10.1016/j.bmc.2010.01.068
Entamoeba histolytica Entamoeba histolytica IC50 nan None 10.1016/j.bmc.2010.01.068
Escherichia coli Escherichia coli ID50 25.0 umol/L 10.1021/jm00213a023
Escherichia coli Escherichia coli IZ 11.0 mm 10.1016/j.bmcl.2019.126660
Escherichia coli Escherichia coli MIC 100.0 ug.mL-1 10.1016/j.bmcl.2009.09.095
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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 60.0 % 10.1021/jm101266s
Homo sapiens Beta-1 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens 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 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 IC50 130000.0 nM 10.1016/j.bmc.2008.09.028
Homo sapiens Carbonic anhydrase I Ki 240000.0 nM 10.1016/j.bmc.2008.09.028
Homo sapiens Carbonic anhydrase II IC50 750000.0 nM 10.1016/j.bmc.2008.09.028
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki 1230000.0 nM 10.1016/j.bmc.2008.09.028
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 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 Inhibition 33.0 % 10.1021/jm400813y
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 nan % 10.1021/tx300075j
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 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
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 3A4 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens 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 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 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 HepG2 IC50 2240000.0 nM 10.1016/j.bmc.2014.05.064
Homo sapiens HepG2 IC50 2240000.0 nM 10.1016/j.bmc.2014.12.019
Homo sapiens HepG2 IC50 2240000.0 nM 10.1016/j.ejmech.2019.111578
Homo sapiens HepG2 IC50 nan None 10.1016/j.bmc.2013.12.016
Homo sapiens HepG2 IC50 nan None 10.1016/j.bmc.2014.12.019
Homo sapiens HepG2 IC50 nan None 10.1016/j.ejmech.2019.111578
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -37.12 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -3.77 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 19952.6 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 5.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens Kappa opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens 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 microsomes Activity nan None 10.1021/tx300075j
Homo sapiens Liver microsomes Stability nan % 10.1021/tx300075j
Homo sapiens Lysine-specific demethylase 4D-like Potency 39810.7 nM None
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Inhibition -7.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase-2 Inhibition -1.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 3 Inhibition 4.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 8 Inhibition 8.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Inhibition 24.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Microtubule-associated protein tau Potency 14125.4 nM None
Homo sapiens Microtubule-associated protein tau Potency 17782.8 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 398.1 nM None
Homo sapiens Motilin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None None
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Protein-tyrosine phosphatase 1B Kd 1200000.0 nM 10.1021/acs.jmedchem.0c00242
Homo sapiens Protein-tyrosine phosphatase 1B Kd 1200000.0 nM 10.1021/jm034088d
Homo sapiens Protein-tyrosine phosphatase 1B Kd 1200000.0 nM 10.1021/jm034122o
Homo sapiens Protein-tyrosine phosphatase 1B Kd 1200000.0 nM 10.1021/jm040031v
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens Serum albumin log(PB) 1.57 None 10.1021/jm00213a023
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
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 UDP-glucuronosyltransferase 1-9 Activity 50.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Klebsiella pneumoniae Klebsiella pneumoniae IZ 0.0 mm 10.1016/j.bmcl.2019.126660
Leishmania amazonensis Leishmania amazonensis IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania donovani Leishmania donovani IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania infantum Leishmania infantum IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania major Leishmania major IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania mexicana Leishmania mexicana IC50 nan None 10.1016/j.bmc.2010.01.068
Micrococcus luteus Micrococcus luteus IZ 0.0 mm 10.1016/j.bmcl.2019.126660
Mus musculus Hydroxyacid oxidase 1 Inhibition 14.9 % 10.1021/acs.jmedchem.8b00399
Mus musculus Mus musculus LD50 4000.0 mg.kg-1 10.1016/j.bmcl.2016.03.107
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Inhibition 8.0 % 10.1021/jm101266s
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mycobacterium avium Mycobacterium avium MIC 32.0 ug.mL-1 10.1016/j.bmcl.2016.03.107
Mycobacterium avium Mycobacterium avium MIC 100.0 ug.mL-1 10.1016/j.bmcl.2009.09.095
Mycobacterium avium Mycobacterium avium MIC 32000.0 nM 10.1016/j.bmc.2013.12.016
Mycobacterium avium Mycobacterium avium MIC 32000.0 nM 10.1016/j.bmc.2014.05.064
Mycobacterium avium Mycobacterium avium MIC 32000.0 nM 10.1016/j.bmc.2014.12.019
Mycobacterium avium Mycobacterium avium MIC 32000.0 nM 10.1016/j.bmc.2017.01.016
Mycobacterium avium Mycobacterium avium MIC 32000.0 nM 10.1016/j.ejmech.2010.09.040
Mycobacterium avium Mycobacterium avium MIC 32000.0 nM 10.1016/j.ejmech.2011.07.052
Mycobacterium avium Mycobacterium avium MIC 32000.0 nM 10.1016/j.ejmech.2019.111578
Mycobacterium avium Mycobacterium avium MIC 125000.0 nM 10.1016/j.bmc.2013.12.016
Mycobacterium avium Mycobacterium avium MIC 125000.0 nM 10.1016/j.bmc.2014.05.064
Mycobacterium avium Mycobacterium avium MIC 125000.0 nM 10.1016/j.bmc.2014.12.019
Mycobacterium avium Mycobacterium avium MIC 125000.0 nM 10.1016/j.bmc.2017.01.016
Mycobacterium avium Mycobacterium avium MIC 125000.0 nM 10.1016/j.ejmech.2010.09.040
Mycobacterium avium Mycobacterium avium MIC 125000.0 nM 10.1016/j.ejmech.2011.07.052
Mycobacterium avium Mycobacterium avium MIC 125000.0 nM 10.1016/j.ejmech.2019.111578
Mycobacterium kansasii Mycobacterium kansasii MIC 32000.0 nM 10.1016/j.bmc.2013.12.016
Mycobacterium kansasii Mycobacterium kansasii MIC 32000.0 nM 10.1016/j.bmc.2014.05.064
Mycobacterium kansasii Mycobacterium kansasii MIC 32000.0 nM 10.1016/j.bmc.2014.12.019
Mycobacterium kansasii Mycobacterium kansasii MIC 32000.0 nM 10.1016/j.bmc.2017.01.016
Mycobacterium kansasii Mycobacterium kansasii MIC 32000.0 nM 10.1016/j.ejmech.2010.09.040
Mycobacterium kansasii Mycobacterium kansasii MIC 32000.0 nM 10.1016/j.ejmech.2011.07.052
Mycobacterium kansasii Mycobacterium kansasii MIC 32000.0 nM 10.1016/j.ejmech.2019.111578
Mycobacterium kansasii Mycobacterium kansasii MIC 125000.0 nM 10.1016/j.bmc.2013.12.016
Mycobacterium kansasii Mycobacterium kansasii MIC 125000.0 nM 10.1016/j.bmc.2014.05.064
Mycobacterium kansasii Mycobacterium kansasii MIC 125000.0 nM 10.1016/j.bmc.2014.12.019
Mycobacterium kansasii Mycobacterium kansasii MIC 125000.0 nM 10.1016/j.bmc.2017.01.016
Mycobacterium kansasii Mycobacterium kansasii MIC 125000.0 nM 10.1016/j.ejmech.2010.09.040
Mycobacterium kansasii Mycobacterium kansasii MIC 125000.0 nM 10.1016/j.ejmech.2011.07.052
Mycobacterium kansasii Mycobacterium kansasii MIC 125000.0 nM 10.1016/j.ejmech.2019.111578
Mycobacterium kansasii Mycobacterium kansasii MIC 500000.0 nM 10.1016/j.bmc.2013.12.016
Mycobacterium kansasii Mycobacterium kansasii MIC 500000.0 nM 10.1016/j.bmc.2014.05.064
Mycobacterium kansasii Mycobacterium kansasii MIC 500000.0 nM 10.1016/j.bmc.2014.12.019
Mycobacterium kansasii Mycobacterium kansasii MIC 500000.0 nM 10.1016/j.bmc.2017.01.016
Mycobacterium kansasii Mycobacterium kansasii MIC 500000.0 nM 10.1016/j.ejmech.2010.09.040
Mycobacterium kansasii Mycobacterium kansasii MIC 500000.0 nM 10.1016/j.ejmech.2011.07.052
Mycobacterium kansasii Mycobacterium kansasii MIC 500000.0 nM 10.1016/j.ejmech.2019.111578
Mycobacterium kansasii Mycobacterium kansasii MIC 1000000.0 nM 10.1016/j.bmc.2013.12.016
Mycobacterium kansasii Mycobacterium kansasii MIC 1000000.0 nM 10.1016/j.bmc.2014.05.064
Mycobacterium kansasii Mycobacterium kansasii MIC 1000000.0 nM 10.1016/j.bmc.2014.12.019
Mycobacterium kansasii Mycobacterium kansasii MIC 1000000.0 nM 10.1016/j.bmc.2017.01.016
Mycobacterium kansasii Mycobacterium kansasii MIC 1000000.0 nM 10.1016/j.ejmech.2010.09.040
Mycobacterium kansasii Mycobacterium kansasii MIC 1000000.0 nM 10.1016/j.ejmech.2011.07.052
Mycobacterium kansasii Mycobacterium kansasii MIC 1000000.0 nM 10.1016/j.ejmech.2019.111578
Mycobacterium tuberculosis Mycobacterium tuberculosis Activity nan None 10.1128/aac.00738-10
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 92.0 % 10.1016/j.bmcl.2004.05.060
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.0005 ug.mL-1 10.1128/aac.00738-10
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.03 ug.mL-1 10.1016/j.ejmech.2009.05.009
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.16 ug.mL-1 10.1016/j.bmcl.2009.09.095
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.2 ug.mL-1 10.1016/j.ejmech.2011.07.052
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.25 ug.mL-1 10.1016/j.ejmech.2011.07.052
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.3 ug.mL-1 10.1016/j.bmcl.2016.03.107
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 1.0 ug.mL-1 10.1016/j.ejmech.2017.06.005
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 5.0 ug.mL-1 10.1021/np9700681
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 8.0 ug.mL-1 10.1128/aac.01197-08
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 12.5 ug.mL-1 10.1039/d1md00367d
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 64.0 ug.mL-1 10.1128/aac.01197-08
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 128.0 ug.mL-1 10.1128/aac.01197-08
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 250.0 ug.mL-1 10.1016/j.bmcl.2016.03.107
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 300.0 nM 10.1039/C6MD00236F
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 600.0 nM 10.1039/C6MD00236F
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 12300.0 nM 10.1128/aac.00055-06
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 62500.0 nM 10.1016/j.bmc.2013.12.016
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 62500.0 nM 10.1016/j.bmc.2014.05.064
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 62500.0 nM 10.1016/j.bmc.2014.12.019
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 62500.0 nM 10.1016/j.bmc.2017.01.016
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 62500.0 nM 10.1016/j.ejmech.2010.09.040
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 62500.0 nM 10.1016/j.ejmech.2019.111578
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 128000.0 nM 10.1128/aac.00055-06
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC nan None 10.1016/j.bmcl.2016.03.107
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC nan None 10.1128/aac.01197-08
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 200.0 nM 10.1016/j.ejmech.2022.114201
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 500.0 nM 10.1016/j.ejmech.2022.114201
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 12500.0 nM 10.1016/j.ejmech.2022.114201
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 50000.0 nM 10.1016/j.ejmech.2022.114201
Mycobacterium tuberculosis Mycobacterium tuberculosis MST 17.0 day 10.1016/j.bmc.2019.04.032
Mycobacterium tuberculosis Mycobacterium tuberculosis MST 25.0 day 10.1016/j.bmc.2019.04.032
Mycobacterium tuberculosis Mycobacterium tuberculosis MST 26.0 day 10.1016/j.bmc.2019.04.032
Mycobacterium tuberculosis Mycobacterium tuberculosis MST 52.0 day 10.1016/j.bmc.2019.04.032
Mycobacterium tuberculosis Mycobacterium tuberculosis Ratio 16.0 None 10.1016/j.ejmech.2017.12.017
Mycolicibacterium smegmatis Mycolicibacterium smegmatis IZ 14.0 mm 10.1016/j.bmcl.2019.126660
Mycolicibacterium smegmatis Mycolicibacterium smegmatis MIC 1000.0 ug.mL-1 10.1016/j.bmcl.2009.09.095
Mycolicibacter terrae Mycolicibacter terrae MIC nan None 10.1016/j.bmcl.2016.03.107
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmc.2010.01.068
Plasmodium falciparum Plasmodium falciparum Potency 4256.2 nM None
Pneumocystis carinii Pneumocystis carinii IC50 nan None 10.1016/j.bmc.2010.01.068
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 0.0 mm 10.1016/j.bmcl.2019.126660
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 Colon Drug metabolism nan None 10.1016/j.ejmech.2015.12.021
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Rattus norvegicus Activity 0.82 U/g 10.1016/j.ejmech.2015.12.021
Rattus norvegicus Rattus norvegicus Activity 70.51 mU 10.1016/j.ejmech.2008.03.035
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.ejmech.2008.03.035
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/j.ejmech.2015.12.021
Rattus norvegicus Rattus norvegicus ALB 28700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 30000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 36000.0 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 ALP 348.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 358.33 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 388.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 945.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 34.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 36.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 39.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 46.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 81.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 173.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 58.0 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 67.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 235.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 536.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 3.7 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 5.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 5.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 7.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 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 BUN 270.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 560.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 571.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 610.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 626.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 643.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 713.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 117.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 122.67 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 142.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 203.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 4.7 ug.mL-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 6.5 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 0.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1060.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1313.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1553.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1633.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1735.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.1 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.9 % 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 39.97 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 45.05 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 143700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 144300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 148200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 158000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 170500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Inhibition nan % 10.1016/j.ejmech.2015.12.021
Rattus norvegicus Rattus norvegicus LYMLE 80.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 83.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 85.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 87.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 20.95 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.27 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.3 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.48 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.25 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.67 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 378500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 395000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 395700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 399700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 409700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 55.3 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 58.8 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.45 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.6 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.3 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.65 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.5 % 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 3.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 11.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 13.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 15.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 16.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 95.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 100.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 100.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 101.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 103.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 104.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1018670.0 cells.uL-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 1203670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1294500.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1449330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.03 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.23 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.27 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.3 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 7.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 43500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 44000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 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 RBC 5820000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6120000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6200000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6340000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6810000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 8150000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 139.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus UI 69.61 None 10.1016/j.ejmech.2008.03.035
Rattus norvegicus Rattus norvegicus UI 69.61 None 10.1016/j.ejmech.2009.04.018
Rattus norvegicus Rattus norvegicus WBC 11180.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 11870.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13370.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14200.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 16970.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 25250.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Small intestine Drug metabolism nan None 10.1016/j.ejmech.2015.12.021
Rattus norvegicus Stomach Drug metabolism nan None 10.1016/j.ejmech.2015.12.021
Schistosoma mansoni Thioredoxin glutathione reductase Potency 3548.1 nM None
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1701 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 index 0.4727 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus MIC 100.0 ug.mL-1 10.1016/j.bmcl.2009.09.095
Toxoplasma gondii Toxoplasma gondii IC50 nan None 10.1016/j.bmc.2010.01.068
Trichomonas vaginalis Trichomonas vaginalis IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei Trypanosoma brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma cruzi Trypanosoma cruzi IC50 nan None 10.1016/j.bmc.2010.01.068
None ADMET AUC 380.0 ng.hr.mL-1 10.1016/j.ejmech.2022.114201
None ADMET AUC 3400.0 ng.hr.mL-1 10.1016/j.ejmech.2022.114201
None ADMET Drug metabolism nan None 10.1016/j.ejmech.2015.12.021
None Hepatotoxicity DILI positive/negative 1.0 None 10.1371/journal.pcbi.1002310
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 LTKB_BD DILI severity score 5.0 None 10.1016/j.drudis.2011.05.007
None NON-PROTEIN TARGET Hepatotoxicity (acute) 6.4 % 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) 6.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 35.3 % 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 NON-PROTEIN TARGET MIC 50.0 ug.mL-1 10.1016/j.bmcl.2009.09.095
None No relevant target LogP 0.901 None 10.1016/j.ejmech.2015.12.021
None No relevant target LogP 1.012 None 10.1016/j.ejmech.2008.03.035
None No relevant target pKa 3.4 None 10.1007/s11095-013-1232-z
None No relevant target pKa 3.52 None 10.1021/jm00213a023
None No relevant target pKa 3.62 None 10.1021/jm00213a023
None No relevant target pKa 3.625 None 10.1007/s11095-013-1232-z
None No relevant target Ratio 0.0 None 10.1021/acs.jmedchem.0c01541
None No relevant target Ratio 0.08 None 10.1021/acs.jmedchem.0c01541
None No relevant target Ratio 0.15 None 10.1021/acs.jmedchem.0c01541
None No relevant target Ratio 0.51 None 10.1021/acs.jmedchem.0c01541
None No relevant target Ratio 0.52 None 10.1021/acs.jmedchem.0c01541
None No relevant target Ratio 0.69 None 10.1021/acs.jmedchem.0c01541
None No relevant target Ratio 0.74 None 10.1021/acs.jmedchem.0c01541
None No relevant target Ratio 0.83 None 10.1021/acs.jmedchem.0c01541
None No relevant target Ratio 0.87 None 10.1021/acs.jmedchem.0c01541
None No relevant target Rm 1.92 None 10.1021/jm00213a023
None No relevant target Solubility 1430.0 ug.mL-1 10.1016/j.ejmech.2015.12.021
None Unchecked Activity 2.94 10'-10mol/min 10.1021/jm00213a023
None Unchecked FC 0.2 None 10.1039/C6MD00236F
None Unchecked FC 0.3 None 10.1039/C6MD00236F
None Unchecked FC 0.5 None 10.1039/C6MD00236F
None Unchecked Hepatotoxicity (acute) 17.0 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) 9.0 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) 11.0 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) 6.0 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 nan None None
None Unchecked Inhibition 0.0 % 10.1016/j.ejmech.2019.111578
None Unchecked Inhibition 10.0 % 10.1016/j.bmc.2014.05.064
None Unchecked Inhibition nan % 10.1021/jm00213a023
None Unchecked Kcat 0.95 /s 10.1016/j.ejmech.2022.114201
None Unchecked Kcat/Km 79.2 /M/s 10.1016/j.ejmech.2022.114201
None Unchecked Ki nan None None
None Unchecked Km 12000.0 nM 10.1016/j.ejmech.2022.114201
None Unchecked Potency 4.1 nM None
None Unchecked Ratio AUC 1.0 None 10.1016/j.ejmech.2022.114201
None Unchecked Selectivity Index 2.2 None 10.1016/j.bmc.2014.05.064
None Unchecked Selectivity Index 2.2 None 10.1016/j.bmc.2014.12.019
None Unchecked Selectivity Index 2.2 None 10.1016/j.ejmech.2019.111578
None Unchecked Selectivity Index 35.8 None 10.1016/j.bmc.2014.05.064
None Unchecked Selectivity Index 35.8 None 10.1016/j.bmc.2014.12.019
None Unchecked Selectivity Index 35.8 None 10.1016/j.ejmech.2019.111578
None Unchecked Selectivity Index nan None 10.1016/j.ejmech.2011.07.052

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004344 CC(=O)Oc1ccc([N+](=O)[O-])cc1.Nc1ccc(C(=O)O)c(O)c1>>CC(=O)Nc1ccc(C(=O)O)c(O)c1 enzymemap_31322
AKRT004345 CC(=O)Oc1ccc([N+](=O)[O-])cc1.Nc1ccc(C(=O)O)c(O)c1>>CC(=O)Nc1ccc(C(=O)O)c(O)c1.O=[N+]([O-])c1ccc(O)cc1 None
AKRT004443 CC(=O)[32S].Nc1ccc(C(=O)O)c(O)c1>>CC(=O)Nc1ccc(C(=O)O)c(O)c1 None
AKRT004733 CC(=O)[CoA].Nc1ccc(C(=O)O)c(O)c1>>CC(=O)Nc1ccc(C(=O)O)c(O)c1 enzymemap_31134
AKRT014700 C[SAH].Nc1ccc(C(=O)O)c(O)c1>>COC(=O)c1ccc(N)cc1O enzymemap_26783
AKRT020604 Nc1ccc(C(=O)O)c(O)c1.Nc1nc2c(c(=O)[nH]1)N=C(COP(=O)(O)OP(=O)(O)O)CN2>>Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)O)c(O)c1)CN2 53732
AKRT020605 Nc1ccc(C(=O)O)c(O)c1>>Nc1ccc(O)c(O)c1 enzymemap_11604
AKRT020606 Nc1ccc(C(=O)O)c(O)c1>>Nc1cccc(O)c1 enzymemap_82179
AKRT020607 Nc1ccc(C(=O)O)c(O)c1>>O=C=O enzymemap_11604
AKRT020679 Nc1cccc(O)c1.O=C=O>>Nc1ccc(C(=O)O)c(O)c1 enzymemap_82179