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name Structure Reference Source Properties Activities Metabolism

Albendazole

AlkaPlorer ID: AK004594

Synonym: None

IUPAC Name: methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate

Structure

SMILES: CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC

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InChI: InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)

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InChIKey: HXHWSAZORRCQMX-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Justicia gendarussa Justicia Acanthaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 265.338

TPSA？: 67.01

MolLogP？: 3.2433000000000005

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 18.94 % 10.6019/CHEMBL4513141
Babesia divergens Babesia divergens IC50 nan None 10.1128/aac.00225-07
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Brugia malayi Brugia malayi Mortality 9.0 % 10.1021/jm0492655
Brugia malayi Brugia malayi Mortality 16.0 % 10.1021/jm0492655
Caenorhabditis elegans Caenorhabditis elegans Inhibition nan % 10.1039/C9MD00064J
Candida albicans Candida albicans Inhibition 2.62 % 10.6019/CHEMBL4513141
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Cryptococcus neoformans Cryptococcus neoformans Inhibition 42.52 % 10.6019/CHEMBL4513141
Echinococcus granulosus Thioredoxin glutathione reductase Inhibition nan % 10.1039/C9MD00064J
Echinococcus multilocularis Echinococcus multilocularis Activity 2.96 g 10.1128/aac.00553-08
Entamoeba histolytica Entamoeba histolytica IC50 56330.0 nM 10.1016/j.bmcl.2011.10.028
Entamoeba histolytica Entamoeba histolytica IC50 56330.0 nM 10.1016/s0960-894x(00)00619-3
Entamoeba histolytica Entamoeba histolytica IC50 56330.0 nM 10.1016/s0960-894x(02)00346-3
Entamoeba histolytica Entamoeba histolytica IC50 56533.4 nM 10.1016/j.bmcl.2013.05.012
Entamoeba histolytica Entamoeba histolytica IC50 56533.4 nM 10.1016/j.ejmech.2017.05.058
Entamoeba histolytica Entamoeba histolytica IC50 56600.0 nM 10.1016/j.ejmech.2010.03.050
Escherichia coli Escherichia coli Inhibition 1.87 % 10.6019/CHEMBL4513141
Escherichia coli K-12 Beta-lactamase AmpC Potency 89125.1 nM None
Escherichia coli K-12 Methionine aminopeptidase IC50 10000.0 nM 10.1021/jm050476z
Escherichia coli K-12 Methionine aminopeptidase Inhibition 15.45 % 10.1021/jm050476z
Escherichia coli K-12 Methionine aminopeptidase Inhibition nan % 10.1021/jm050476z
Giardia Giardia Potency 516.1 nM None
Giardia intestinalis Giardia intestinalis IC50 0.018 ug.mL-1 10.1128/aac.00225-07
Giardia intestinalis Giardia intestinalis IC50 0.019 ug.mL-1 10.1128/aac.00225-07
Giardia intestinalis Giardia intestinalis IC50 37.0 nM 10.1016/j.bmc.2008.12.059
Giardia intestinalis Giardia intestinalis IC50 37.0 nM 10.1016/j.bmcl.2011.10.028
Giardia intestinalis Giardia intestinalis IC50 37.0 nM 10.1016/j.bmcl.2013.05.012
Giardia intestinalis Giardia intestinalis IC50 37.0 nM 10.1016/j.ejmech.2010.03.050
Giardia intestinalis Giardia intestinalis IC50 37.0 nM 10.1016/j.ejmech.2012.03.014
Giardia intestinalis Giardia intestinalis IC50 37.0 nM 10.1016/j.ejmech.2017.05.058
Giardia intestinalis Giardia intestinalis IC50 37.0 nM 10.1016/j.ejmech.2020.113110
Giardia intestinalis Giardia intestinalis IC50 37.0 nM 10.1016/s0960-894x(00)00619-3
Giardia intestinalis Giardia intestinalis IC50 37.0 nM 10.1016/s0960-894x(02)00346-3
Giardia intestinalis Giardia intestinalis IC50 47.0 nM 10.1016/j.ejmech.2020.113110
Giardia intestinalis Giardia intestinalis IC50 54.0 nM 10.1016/j.ejmech.2020.113110
Giardia intestinalis Giardia intestinalis IC50 55.0 nM 10.1021/acs.jmedchem.0c00910
Giardia intestinalis Giardia intestinalis IC50 137.0 nM 10.1016/j.ejmech.2020.113110
Giardia intestinalis Giardia intestinalis IC50 277.0 nM 10.1016/j.ejmech.2020.113110
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 6309.6 nM None
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 10000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 2229.7 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 8876.6 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 14581.0 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump AC50 300000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bradykinin B2 receptor AC50 10000.0 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 Papp 1.99 ucm/s 10.1016/j.ejmech.2012.03.014
Homo sapiens Caco-2 Papp 3.14 ucm/s 10.1016/j.ejmech.2012.03.014
Homo sapiens Caco-2 Ratio 0.74 None 10.1016/j.ejmech.2012.03.014
Homo sapiens Caco-2 Ratio 1.35 None 10.1016/j.ejmech.2012.03.014
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 2 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Cathepsin G IC50 nan None None
Homo sapiens Cathepsin G Ki nan None None
Homo sapiens C-C chemokine receptor type 2 IC50 nan None None
Homo sapiens C-C chemokine receptor type 2 Ki nan None None
Homo sapiens C-C chemokine receptor type 4 IC50 nan None None
Homo sapiens C-C chemokine receptor type 4 Ki nan None None
Homo sapiens C-C chemokine receptor type 5 IC50 nan None None
Homo sapiens C-C chemokine receptor type 5 Ki nan None None
Homo sapiens Cellular tumor antigen p53 Potency 12589.3 nM None
Homo sapiens Cholecystokinin A receptor AC50 10000.0 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 Chromobox protein homolog 1 Potency 89125.1 nM None
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 10000.0 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 AC50 398.11 nM None
Homo sapiens Cytochrome P450 1A2 IC50 30000.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 IC50 30000.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C8 IC50 30000.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 IC50 30000.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 IC50 30000.0 nM 10.1124/dmd.111.043505
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 2J2 Activity 29.3 % 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2J2 Activity 65.5 % 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 IC50 30000.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens DNA dC->dU-editing enzyme APOBEC-3G Potency 1000.0 nM None
Homo sapiens DNA dC->dU-editing enzyme APOBEC-3G Potency 1122.0 nM None
Homo sapiens Dopamine D1 receptor AC50 10000.0 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 10000.0 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 IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 10000.0 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 Geminin Potency 452.8 nM None
Homo sapiens Geminin Potency 508.1 nM None
Homo sapiens Geminin Potency 730.8 nM None
Homo sapiens Geminin Potency 819.9 nM None
Homo sapiens Ghrelin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon-like peptide 1 receptor Potency 1584.9 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 4466.8 nM None
Homo sapiens Glucocorticoid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens HEK293 Potency 2059.6 nM None
Homo sapiens HERG AC50 10447.9 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 10000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histone deacetylase 6 Inhibition 41.78 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 58.77 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 70794.6 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 7.0 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 Isocitrate dehydrogenase [NADP] cytoplasmic Potency 2059.6 nM None
Homo sapiens Kappa opioid receptor AC50 10000.0 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 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 ERK2 Potency 1000.0 nM None
Homo sapiens MAP kinase ERK2 Potency 39810.7 nM 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 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 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 12589.3 nM None
Homo sapiens Methionine aminopeptidase 1 Inhibition nan % 10.1016/j.bmcl.2010.05.093
Homo sapiens Methionine aminopeptidase 2 Inhibition 10.0 % 10.1016/j.bmcl.2010.05.093
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 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 10000.0 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 Muscleblind-like protein 1 Potency 31622.8 nM None
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None None
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide S receptor Potency 25118.9 nM None
Homo sapiens Neuropeptide Y receptor type 1 AC50 10000.0 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 Nuclear factor erythroid 2-related factor 2 Potency 2909.3 nM None
Homo sapiens PC-3M EC50 1150.0 nM 10.1016/j.ejmech.2017.11.037
Homo sapiens P-glycoprotein 1 Activity nan None 10.1124/dmd.30.4.365
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 Prelamin-A/C Potency 398.1 nM None
Homo sapiens Prelamin-A/C Potency 1122.0 nM None
Homo sapiens Progesterone receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 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 10000.0 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 10000.0 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 Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 102.72 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 95.9 % 10.1124/mol.112.084152
Homo sapiens Survival motor neuron protein Potency 5011.9 nM 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 Transcriptional regulator ERG Potency 50118.7 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 50.8 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 127.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 316.2 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 326.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 461.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 580.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 891.3 nM None
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 3.18 % 10.6019/CHEMBL4513141
Leishmania donovani Leishmania donovani IC50 3770.0 nM 10.6019/CHEMBL3392926
Leishmania donovani Leishmania donovani IC50 113060.0 nM 10.6019/CHEMBL3392926
Leishmania donovani Leishmania donovani IC50 nan None 10.1128/aac.00225-07
Leishmania mexicana Leishmania mexicana IC50 nan None 10.1016/j.ejmech.2010.03.050
Mus musculus Indoleamine 2,3-dioxygenase 2 Inhibition 55.0 % 10.1016/j.bmcl.2012.10.010
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus P-glycoprotein 1 and 3 (MDR1a/MDR1b) Activity nan None 10.1124/dmd.30.4.365
Nippostrongylus brasiliensis Nippostrongylus brasiliensis Activity 100.0 % 10.1039/C9MD00064J
Nippostrongylus brasiliensis Nippostrongylus brasiliensis EC50 340.0 nM 10.1021/np0102307
Nippostrongylus brasiliensis Nippostrongylus brasiliensis EC50 340.0 nM 10.1039/C9MD00064J
Nippostrongylus brasiliensis Nippostrongylus brasiliensis LC50 340.0 nM 10.1016/j.bmcl.2005.11.072
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
Photinus pyralis Luciferin 4-monooxygenase Potency 1095.3 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 3013.1 nM None
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1128/aac.00225-07
Plasmodium falciparum Plasmodium falciparum Potency 510.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 1613.7 nM None
Plasmodium falciparum Plasmodium falciparum Potency 8275.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 10417.9 nM None
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 1.7 % 10.6019/CHEMBL4513141
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Androgen Receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Inositol monophosphatase 1 Potency 28183.8 nM 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 Peripheral myelin protein 22 Potency 1067.2 nM None
Rattus norvegicus Peripheral myelin protein 22 Potency 10953.3 nM None
Rattus norvegicus Rattus norvegicus Activity 0.055 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.098 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.1113 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.1297 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.1935 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.245 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.2696 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.28 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.2875 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.3084 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.4081 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.592 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 0.593 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity 3.48 ug ml-1 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus Activity nan None 10.1016/0960-894X(96)00405-2
Rattus norvegicus Rattus norvegicus ALB 36000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 247.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 375.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 381.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 430.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 29.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 44.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 53.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 56.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 66.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 79.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 87.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 99.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 110.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 123.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 133.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 640.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 670.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 906.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 990.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 225.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 237.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 278.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 390.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 27330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.1 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.1 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 69.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1413.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1610.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1613.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 2206.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 31.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 31.3 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 125000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 128700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 134700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 106.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 112.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 141.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 198.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 11.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7019.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7738.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 10254.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12808.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 94.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 97.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.0 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.9 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.17 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 26.07 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 403300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 404700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 411000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.27 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.77 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.17 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.4 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 23.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 149.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 184.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 2.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 190.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 712.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 776.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1574.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 105.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 109.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 113.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 122.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1007330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1157330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1425000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1525330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.64 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.98 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.27 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.31 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 52000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 53700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 55000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 4930000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5030000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5370000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5640000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.33 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.23 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.53 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.93 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 13.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 17.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 22.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Viscosity 2.07 None 10.1016/s0960-894x(00)00619-3
Rattus norvegicus Rattus norvegicus Viscosity 7.04 None 10.1016/s0960-894x(00)00619-3
Rattus norvegicus Rattus norvegicus Viscosity nan None 10.1016/s0960-894x(00)00619-3
Rattus norvegicus Rattus norvegicus WBC 7230.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8730.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10970.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14570.0 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 Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 4.415 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1188 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.38 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 23.24 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.01846 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Inhibition 3.05 % 10.6019/CHEMBL4513141
Trichinella spiralis Trichinella spiralis Activity 58.6 % 10.1016/j.ejmech.2010.03.050
Trichinella spiralis Trichinella spiralis Activity 61.9 % 10.1016/j.ejmech.2010.03.050
Trichinella spiralis Trichinella spiralis Activity 62.0 % 10.1016/j.ejmech.2010.03.050
Trichinella spiralis Trichinella spiralis Activity 63.0 % 10.1016/j.ejmech.2010.03.050
Trichinella spiralis Trichinella spiralis Activity 67.0 % 10.1016/j.ejmech.2010.03.050
Trichinella spiralis Trichinella spiralis Activity 73.0 % 10.1016/j.ejmech.2010.03.050
Trichinella spiralis Trichinella spiralis Efficacy 10.6 % 10.1016/j.bmc.2007.06.017
Trichinella spiralis Trichinella spiralis Efficacy 10.6 % 10.1016/j.ejmech.2010.09.050
Trichinella spiralis Trichinella spiralis Efficacy 10.7 % 10.1016/j.bmc.2007.06.017
Trichinella spiralis Trichinella spiralis Efficacy 13.3 % 10.1016/j.bmc.2007.06.017
Trichinella spiralis Trichinella spiralis Efficacy 14.8 % 10.1016/j.bmc.2007.06.017
Trichinella spiralis Trichinella spiralis Efficacy 14.8 % 10.1016/j.ejmech.2010.09.050
Trichinella spiralis Trichinella spiralis Efficacy 15.1 % 10.1016/j.bmc.2007.06.017
Trichinella spiralis Trichinella spiralis Efficacy 17.4 % 10.1016/j.bmc.2007.06.017
Trichinella spiralis Trichinella spiralis Efficacy 100.0 % 10.1016/j.bmc.2007.06.017
Trichinella spiralis Trichinella spiralis Reduction 6.0 % 10.1016/s0960-894x(00)00619-3
Trichinella spiralis Trichinella spiralis Reduction 13.0 % 10.1016/s0960-894x(00)00619-3
Trichinella spiralis Trichinella spiralis Reduction 20.0 % 10.1016/s0960-894x(00)00619-3
Trichinella spiralis Trichinella spiralis Reduction 30.0 % 10.1016/s0960-894x(00)00619-3
Trichinella spiralis Trichinella spiralis Viability 34.0 % 10.1016/s0960-894x(02)00346-3
Trichomonas vaginalis Trichomonas vaginalis IC50 1590.5 nM 10.1016/j.bmc.2008.12.059
Trichomonas vaginalis Trichomonas vaginalis IC50 1590.5 nM 10.1016/j.bmcl.2011.10.028
Trichomonas vaginalis Trichomonas vaginalis IC50 1590.5 nM 10.1016/j.bmcl.2013.05.012
Trichomonas vaginalis Trichomonas vaginalis IC50 1590.5 nM 10.1016/j.ejmech.2017.05.058
Trichomonas vaginalis Trichomonas vaginalis IC50 1592.0 nM 10.1016/j.ejmech.2010.03.050
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 14700.0 nM 10.6019/CHEMBL3392926
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 nan None 10.1128/aac.00225-07
Trypanosoma cruzi Trypanosoma cruzi IC50 12320.0 nM 10.6019/CHEMBL3392926
Trypanosoma cruzi Trypanosoma cruzi IC50 nan None 10.1128/aac.00225-07
None ADMET CL 12.59 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET CL 34.67 mL.min-1.g-1 10.6019/CHEMBL3301361
None ADMET CL 83.18 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET PPB 94.19 % 10.6019/CHEMBL3301361
None ADMET PPB 95.43 % 10.6019/CHEMBL3301361
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 3.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 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 1.0 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 NON-PROTEIN TARGET Anticonvulsant activity nan None 10.1016/s0960-894x(03)00535-3
None NON-PROTEIN TARGET Hepatotoxicity (acute) 5.0 % 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) 25.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 100.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET IC50 410.0 nM 10.6019/CHEMBL3392926
None NON-PROTEIN TARGET IC50 11310.0 nM 10.6019/CHEMBL3392926
None NON-PROTEIN TARGET Mortality nan None 10.1021/jm0492655
None NON-PROTEIN TARGET TIME 0.0895 hr 10.1016/j.ejmech.2011.03.017
None NON-PROTEIN TARGET TIME 0.12 hr 10.1016/j.ejmech.2011.03.017
None NON-PROTEIN TARGET TIME 0.5095 hr 10.1016/j.ejmech.2011.02.052
None NON-PROTEIN TARGET TIME 0.593 hr 10.1016/j.ejmech.2011.02.052
None NON-PROTEIN TARGET TIME 0.8397 hr 10.1016/j.ejmech.2011.02.052
None NON-PROTEIN TARGET TIME 0.889 hr 10.1016/j.ejmech.2011.02.052
None NON-PROTEIN TARGET TIME 0.9208 hr 10.1016/j.ejmech.2011.02.052
None NON-PROTEIN TARGET TIME 1.006 hr 10.1016/j.ejmech.2011.02.052
None No relevant target log1/S 5.55 None 10.1016/j.ejmech.2012.03.014
None No relevant target LogD 3.83 None 10.1016/j.ejmech.2012.03.014
None No relevant target LogD7.4 3.24 None 10.6019/CHEMBL3301361
None No relevant target logKw 1.95 None 10.1016/j.ejmech.2012.03.014
None No relevant target LogP 3.07 None 10.1016/s0960-894x(01)00214-1
None No relevant target -log(solubility) 3.69 None 10.1016/j.bmcl.2015.02.013
None No relevant target -log(solubility) 3.82 None 10.1016/j.bmcl.2015.02.013
None No relevant target -log(solubility) 4.89 None 10.1016/j.bmcl.2015.02.013
None No relevant target -log(solubility) 5.72 None 10.1016/j.bmcl.2015.02.013
None No relevant target -log(solubility) 6.12 None 10.1016/j.bmcl.2015.02.013
None No relevant target -log(solubility) 6.31 None 10.1016/j.bmcl.2015.02.013
None No relevant target -log(solubility) 6.42 None 10.1016/j.bmcl.2015.02.013
None No relevant target -log(solubility) 7.31 None 10.1016/j.bmcl.2015.02.013
None No relevant target Peff 283.6 10'-6 cm/s 10.1016/j.ejmech.2018.12.059
None No relevant target permeability 44.1 % 10.1016/j.ejmech.2018.12.059
None No relevant target pKa_A1 10.5 None 10.6019/CHEMBL3301361
None No relevant target pKa_B1 5.88 None 10.6019/CHEMBL3301361
None No relevant target Solubility 0.52 ug.mL-1 10.1016/j.ejmech.2019.111990
None No relevant target Solubility 0.74 ug.mL-1 10.1016/j.ejmech.2019.111990
None No relevant target Solubility 0.75 ug.mL-1 10.1016/j.ejmech.2012.03.014
None No relevant target Solubility 2.2 ug.mL-1 10.1021/acs.jmedchem.2c00386
None No relevant target Solubility 2.3 ug.mL-1 10.1016/j.bmcl.2015.03.016
None No relevant target Solubility 983.0 nM 10.1021/jm0706416
None No relevant target Solubility 1000.0 nM 10.1016/j.bmcl.2021.128216
None No relevant target Solubility 1500.0 nM 10.1021/acs.jmedchem.0c01152
None No relevant target Solubility 1600.0 nM 10.6019/CHEMBL3301361
None No relevant target Solubility 3000.0 nM 10.1016/j.bmc.2010.02.013
None No relevant target Solubility 6100.0 nM 10.1021/acs.jmedchem.0c01104
None No relevant target Solubility 6100.0 nM 10.1021/jm500942v
None No relevant target Solubility 100000.0 nM 10.1021/acs.jmedchem.0c01104
None No relevant target Solubility 100000.0 nM 10.1021/jm500942v
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked AbsAC50 15.37 uM None
None Unchecked Ac50 0.001367 uM None
None Unchecked Ac50 0.01219 uM None
None Unchecked Ac50 1.086 uM None
None Unchecked Ac50 4.324 uM None
None Unchecked Ac50 4.852 uM None
None Unchecked Ac50 5.012 uM None
None Unchecked Ac50 6.108 uM None
None Unchecked Ac50 7.689 uM None
None Unchecked Ac50 8.913 uM None
None Unchecked Ac50 10.0 uM None
None Unchecked Ac50 15.34 uM None
None Unchecked AC50 3162.3 nM None
None Unchecked AC50 3981.1 nM None
None Unchecked AC50 4851.6 nM None
None Unchecked AC50 5011.9 nM None
None Unchecked AC50 5443.6 nM None
None Unchecked AC50 6107.8 nM None
None Unchecked AC50 8912.5 nM None
None Unchecked AC50 8920.0 nM None
None Unchecked AC50 10000.0 nM None
None Unchecked Activity 100.0 % 10.1016/j.bmcl.2016.01.002
None Unchecked Activity nan None 10.1016/j.bmcl.2016.01.002
None Unchecked EC50 580.0 nM 10.1016/j.ejmech.2017.11.037
None Unchecked Hepatotoxicity (acute) 8.0 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) 2.0 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) 3.0 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 37.7 nM None
None Unchecked IC50 61.2 nM None
None Unchecked IC50 61.5 nM None
None Unchecked IC50 65.6 nM None
None Unchecked IC50 108.48 nM None
None Unchecked IC50 111.8 nM None
None Unchecked IC50 157.93 nM None
None Unchecked IC50 165.33 nM None
None Unchecked IC50 355.4 nM None
None Unchecked IC50 502.0 nM None
None Unchecked IC50 700.0 nM 10.1128/aac.00355-07
None Unchecked IC50 1276.4 nM None
None Unchecked IC50 10000.0 nM None
None Unchecked IC50 12268.5 nM None
None Unchecked IC50 20000.0 nM None
None Unchecked IC50 30000.0 nM 10.1021/acs.jmedchem.1c00354
None Unchecked IC50 47000.0 nM 10.1128/aac.00355-07
None Unchecked IC50 nan None None
None Unchecked Inhibition 10.5 % 10.1016/j.bmcl.2010.05.093
None Unchecked Inhibition 35.0 % 10.1016/j.bmcl.2010.05.093
None Unchecked Ki nan None None
None Unchecked Potency 14.1 nM None
None Unchecked Potency 398.1 nM None
None Unchecked Potency 501.2 nM None
None Unchecked Potency 730.8 nM None
None Unchecked Potency 891.3 nM None
None Unchecked Potency 1122.0 nM None
None Unchecked Potency 1258.9 nM None
None Unchecked Potency 2511.9 nM None
None Unchecked Potency 2909.3 nM None
None Unchecked Potency 7943.3 nM None
None Unchecked Potency 8912.5 nM None
None Unchecked Potency 29092.9 nM None
None Unchecked Ratio EC50 2.0 None 10.1016/j.ejmech.2017.11.037
None Unchecked T1/2 8.0 hr 10.1021/acs.jmedchem.0c00910

Metabolism Information