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4-(dipropylsulfamoyl)benzoic acid

AlkaPlorer ID: AK029117

Synonym: None

IUPAC Name: 4-(dipropylsulfamoyl)benzoic acid

Structure

SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C(=O)O)C=C1

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InChI: InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)

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InChIKey: DBABZHXKTCFAPX-UHFFFAOYSA-N

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Reference

PubChem CID: 4911

CAS: 57-66-9

NPASS: NPC483363

COCONUT: CNP0399170

Source

Species Genus Family Order Class Phylum Kingdom Domain
Juncus effusus Juncus Juncaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 285.36499999999995

TPSA？: 74.68

MolLogP？: 2.1955

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 30.42 % 10.6019/CHEMBL4513141
Bos taurus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans Inhibition 3.37 % 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 -7.72 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli Inhibition 1.2 % 10.6019/CHEMBL4513141
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 19905.4 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 10000.0 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 10000.0 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 Alpha-galactosidase A Potency 50118.7 nM 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 ATP-binding cassette sub-family C member 11 Activity 76.0 % 10.1124/mol.104.007138
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 564800.0 nM 10.1124/dmd.111.040758
Homo sapiens Bile salt export pump IC50 586800.0 nM 10.1124/dmd.112.047068
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 logPapp -4.84 None 10.1016/j.bmc.2011.03.011
Homo sapiens Caco-2 logPapp -4.78 None 10.1016/j.bmc.2011.03.011
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity 20.0 % 10.1074/jbc.m110918200
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity 110.0 % 10.1021/jm7015683
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity nan None 10.1016/j.bbrc.2003.09.007
Homo sapiens Canalicular multispecific organic anion transporter 1 Activity nan None 10.1124/mol.57.4.760
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 1 Ki 42200.0 nM 10.2133/dmpk.17.23
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 I Ki 10000.0 nM 10.1016/j.bmc.2014.06.003
Homo sapiens Carbonic anhydrase I Ki 10000.0 nM 10.1016/j.bmc.2015.05.013
Homo sapiens Carbonic anhydrase I Ki 10000.0 nM 10.1016/j.bmc.2015.07.066
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki 431.0 nM 10.1016/j.bmc.2014.06.003
Homo sapiens Carbonic anhydrase II Ki 431.0 nM 10.1016/j.bmc.2015.05.013
Homo sapiens Carbonic anhydrase II Ki 431.0 nM 10.1016/j.bmc.2015.07.066
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Carbonic anhydrase IX Ki 360.0 nM 10.1016/j.bmc.2014.06.003
Homo sapiens Carbonic anhydrase IX Ki 360.0 nM 10.1016/j.bmc.2015.05.013
Homo sapiens Carbonic anhydrase IX Ki 360.0 nM 10.1016/j.bmc.2015.07.066
Homo sapiens Carbonic anhydrase XII Ki 1245.0 nM 10.1016/j.bmc.2014.06.003
Homo sapiens Carbonic anhydrase XII Ki 1245.0 nM 10.1016/j.bmc.2015.05.013
Homo sapiens Carbonic anhydrase XII Ki 1245.0 nM 10.1016/j.bmc.2015.07.066
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 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 63095.7 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 nan None None
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 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
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-(apurinic or apyrimidinic site) lyase Potency 11220.2 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 10000.0 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 10000.0 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 alpha Potency 5011.9 nM None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Geminin Potency 517.4 nM None
Homo sapiens Ghrelin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 Activity nan None 10.1124/dmd.110.035600
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 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 -20.52 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -4.26 % 10.6019/CHEMBL4808148
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens CL 0.2 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 0.25 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 0.25 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.03 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.03 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens Cmax 123700.0 nM 10.1021/acs.jmedchem.5b01091
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 6.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fa 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 1.01 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.99 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 0.13 L.kg-1 10.1021/jm901371v
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 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 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 10000.0 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 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 Activity 7.9 % None
Homo sapiens Multidrug resistance associated protein Activity nan None 10.1074/jbc.m107041200
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None 10.1006/bbrc.1999.0671
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None 10.1016/j.bbrc.2003.09.007
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None 10.1021/jm900194w
Homo sapiens Multidrug resistance-associated protein 1 Activity nan None 10.1124/mol.57.4.760
Homo sapiens Multidrug resistance-associated protein 1 Ratio IC50 1.4 None 10.1021/jm900194w
Homo sapiens Multidrug resistance-associated protein 1 Ratio IC50 1.7 None 10.1021/jm900194w
Homo sapiens Multidrug resistance-associated protein 1 Ratio IC50 1.9 None 10.1021/jm900194w
Homo sapiens Multidrug resistance-associated protein 4 Activity 10.0 % 10.1681/asn.v133595
Homo sapiens Multidrug resistance-associated protein 4 Activity 49.4 % None
Homo sapiens Multidrug resistance-associated protein 4 Activity 52.0 % 10.1053/jhep.2003.50331
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Multidrug resistance-associated protein 5 Activity 31.7 % 10.1074/jbc.m005463200
Homo sapiens Multidrug resistance-associated protein 6 Activity 10.0 % 10.1074/jbc.m110918200
Homo sapiens Multidrug resistance-associated protein 6 Activity 70.0 % 10.1074/jbc.m110918200
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 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 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 10000.0 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 Pannexin-1 IC50 150000.0 nM 10.1021/acs.jmedchem.5b01091
Homo sapiens P-glycoprotein 1 Activity nan None 10.1007/s00280-003-0745-2
Homo sapiens P-glycoprotein 1 Activity nan None 10.1023/a:1011076217118
Homo sapiens P-glycoprotein 1 Activity nan None 10.1038/sj.bjp.0706008
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 Plasma fCmax 35.04 uM 10.1124/dmd.111.040758
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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Ras-related protein Rab-9A Potency 6309.6 nM 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 family 22 member 1 Inhibition -8.9 % 10.1021/jm8003152
Homo sapiens Solute carrier family 22 member 11 Activity 81.6 % 10.1124/jpet.102.034330
Homo sapiens Solute carrier family 22 member 11 IC50 25400.0 nM 10.1254/jphs.94.197
Homo sapiens Solute carrier family 22 member 11 IC50 54900.0 nM 10.1016/j.ejmech.2019.01.043
Homo sapiens Solute carrier family 22 member 11 Inhibition 81.4 % 10.1124/dmd.112.048470
Homo sapiens Solute carrier family 22 member 11 Ki 44400.0 nM 10.1016/s0167-4889(02)00187-8
Homo sapiens Solute carrier family 22 member 11 Ki 54900.0 nM 10.1124/jpet.301.3.797
Homo sapiens Solute carrier family 22 member 12 IC50 15000.0 nM 10.1039/C6MD00190D
Homo sapiens Solute carrier family 22 member 12 IC50 50000.0 nM 10.1124/dmd.106.012187
Homo sapiens Solute carrier family 22 member 12 IC50 86390.0 nM 10.1021/jm1015022
Homo sapiens Solute carrier family 22 member 12 IC50 174000.0 nM None
Homo sapiens Solute carrier family 22 member 12 Inhibition 30.0 % 10.1124/dmd.106.012187
Homo sapiens Solute carrier family 22 member 12 Inhibition 35.7 % 10.1021/jm1015022
Homo sapiens Solute carrier family 22 member 5 Activity 77.4 % None
Homo sapiens Solute carrier family 22 member 6 Activity 9.2 % 10.1046/j.1523-1755.2003.00710.x
Homo sapiens Solute carrier family 22 member 6 Activity 52.1 % 10.1124/jpet.102.034330
Homo sapiens Solute carrier family 22 member 6 Activity nan None 10.1006/bbrc.1998.9978
Homo sapiens Solute carrier family 22 member 6 Activity nan None 10.1038/nrd3028
Homo sapiens Solute carrier family 22 member 6 Activity nan None 10.1152/ajprenal.1999.276.2.f295
Homo sapiens Solute carrier family 22 member 6 IC50 6300.0 nM 10.1006/abio.2000.4633
Homo sapiens Solute carrier family 22 member 6 IC50 7400.0 nM None
Homo sapiens Solute carrier family 22 member 6 IC50 12100.0 nM 10.1016/j.ejmech.2019.01.043
Homo sapiens Solute carrier family 22 member 6 IC50 12300.0 nM 10.1254/jphs.94.197
Homo sapiens Solute carrier family 22 member 6 IC50 12500.0 nM 10.1046/j.1523-1755.2003.00710.x
Homo sapiens Solute carrier family 22 member 6 Inhibition 96.2 % 10.1124/dmd.112.048470
Homo sapiens Solute carrier family 22 member 6 Ki 4300.0 nM 10.1006/abio.2000.4633
Homo sapiens Solute carrier family 22 member 6 Ki 4410.0 nM 10.1016/s0024-3205(01)01296-6
Homo sapiens Solute carrier family 22 member 6 Ki 12100.0 nM 10.1016/s0014-2999(01)00962-1
Homo sapiens Solute carrier family 22 member 7 IC50 668000.0 nM 10.1254/jphs.94.197
Homo sapiens Solute carrier family 22 member 7 Ki 766000.0 nM 10.1124/jpet.301.3.797
Homo sapiens Solute carrier family 22 member 8 Activity nan None 10.1038/nrd3028
Homo sapiens Solute carrier family 22 member 8 Activity nan None 10.1124/mol.59.5.1277
Homo sapiens Solute carrier family 22 member 8 IC50 4930.0 nM 10.1254/jphs.94.197
Homo sapiens Solute carrier family 22 member 8 IC50 9000.0 nM 10.1016/j.ejmech.2019.01.043
Homo sapiens Solute carrier family 22 member 8 Inhibition 88.5 % 10.1124/dmd.112.048470
Homo sapiens Solute carrier family 22 member 8 Inhibition nan % 10.1124/dmd.112.049569
Homo sapiens Solute carrier family 22 member 8 Ki 4410.0 nM 10.1016/s0024-3205(01)01296-6
Homo sapiens Solute carrier family 22 member 8 Ki 9000.0 nM 10.1016/s0014-2999(01)00962-1
Homo sapiens Solute carrier family 22 member 8 Ki 29800.0 nM 10.1124/jpet.102.034330
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 35.2 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 81.99 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 22.0 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 89.44 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 26.4 % 10.1021/jm300212s
Homo sapiens Survival motor neuron protein Potency 1258.9 nM None
Homo sapiens Thromboxane A2 receptor AC50 10000.0 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 Transient receptor potential cation channel subfamily A member 1 Activity nan None 10.1016/j.ejmech.2019.02.074
Homo sapiens Transient receptor potential cation channel subfamily A member 1 EC50 4200000.0 nM 10.1016/j.ejmech.2019.02.074
Homo sapiens Transient receptor potential cation channel subfamily A member 1 pEC50 nan None 10.1016/j.ejmech.2019.02.074
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 Ubiquitin carboxyl-terminal hydrolase 1 Potency 39810.7 nM None
Homo sapiens UDP-glucuronosyltransferase 1-1 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-1 Ki 221000.0 nM 10.1016/j.pharmthera.2004.10.013
Homo sapiens UDP-glucuronosyltransferase 1-10 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-10 Ki 231000.0 nM 10.1016/j.pharmthera.2004.10.013
Homo sapiens UDP-glucuronosyltransferase 1-6 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-6 Ki 1429000.0 nM 10.1016/j.pharmthera.2004.10.013
Homo sapiens UDP-glucuronosyltransferase 1-7 Ki 96000.0 nM 10.1016/j.pharmthera.2004.10.013
Homo sapiens UDP-glucuronosyltransferase 1-8 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-9 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-9 Ki 2452000.0 nM 10.1016/j.pharmthera.2004.10.013
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
Homo sapiens Vitamin D receptor Potency 1.4 nM None
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 16.52 % 10.6019/CHEMBL4513141
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Pannexin-1 IC50 150000.0 nM 10.1016/j.ejmech.2021.113650
Mus musculus Putative organic anion transporter 5 Activity 25.0 % 10.1152/ajprenal.00012.2004
Mus musculus Solute carrier family 22 member 20 Ki 8400.0 nM 10.1074/jbc.m703467200
Mus musculus Solute carrier family 22 member 20 Ki 8511.38 nM 10.1074/jbc.m703467200
Mus musculus Solute carrier family 22 member 6 Activity nan None 10.1074/jbc.274.3.1519
Mus musculus Solute carrier family 22 member 6 Inhibition nan % 10.1124/dmd.112.049569
Mus musculus Solute carrier family 22 member 6 Ki 6309.57 nM 10.1074/jbc.m703467200
Mus musculus Solute carrier family 22 member 6 Ki 6400.0 nM 10.1074/jbc.m703467200
Mus musculus Solute carrier family 22 member 8 Activity 0.625 % 10.1124/jpet.103.063370
Mus musculus Solute carrier family 22 member 8 IC50 3020.0 nM 10.1124/dmd.112.049569
Mus musculus Solute carrier family 22 member 8 Inhibition nan % 10.1124/dmd.112.049569
Mus musculus Solute carrier organic anion transporter family member 1C1 Ki 293000.0 nM 10.1210/en.2004-0058
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
Pan troglodytes Pan troglodytes Excretion rate nan None 10.1021/jm00139a020
Pan troglodytes Pan troglodytes Ratio 0.05 None 10.1021/jm00203a006
Plasmodium falciparum Plasmodium falciparum FICI 0.12 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum FICI 0.2 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum FICI 0.57 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum FICI 0.64 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum FICI 0.78 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum FICI 0.83 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum FICI 1.02 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum FICI 1.12 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum FICI 1.2 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum FICI 1.21 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum FICI 1.57 nM 10.1128/aac.01689-08
Plasmodium falciparum Plasmodium falciparum FICI 5.9 nM 10.1128/aac.01689-08
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 19.93 % 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 Bile acid transporter Activity nan None 10.1073/pnas.88.23.10629
Rattus norvegicus Bile salt export pump IC50 509900.0 nM 10.1124/dmd.111.040758
Rattus norvegicus Canalicular multispecific organic anion transporter 1 Activity nan None 10.1023/a:1022238506509
Rattus norvegicus Canalicular multispecific organic anion transporter 1 Activity nan None 10.1124/jpet.102.044107
Rattus norvegicus Canalicular multispecific organic anion transporter 1 Ki 44600.0 nM 10.2133/dmpk.17.23
Rattus norvegicus Canalicular multispecific organic anion transporter 2 Activity nan None 10.1124/jpet.102.044107
Rattus norvegicus Cyclooxygenase-1 AC50 10000.0 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 Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Monocarboxylate transporter 1 Activity 110.0 % 10.1042/0264-6021:3410529
Rattus norvegicus Monocarboxylate transporter 2 Activity 88.0 % 10.1042/0264-6021:3410529
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Plasma Fu 0.13 None 10.1021/jm901371v
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm00203a006
Rattus norvegicus Rattus norvegicus ALB 39300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 39700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 404.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 404.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 531.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 534.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 55.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 70.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 70.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 83.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 87.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 87.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 96.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 114.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 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 136.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 203.3 ug.mL-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 101.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 553.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 580.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 633.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 810.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 196.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 599.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 902.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 910.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 27670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 29670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 31000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 33670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.9 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.5 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 58.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 106.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 118.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 143.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1556.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1573.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1690.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1780.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.07 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.9 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.2 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 134000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 137000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 143300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 142.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 213.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 259.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 364.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12848.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13997.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 14409.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 15278.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 86.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 90.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 91.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.93 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.67 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.03 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.73 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 393000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 396000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 397300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 406000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.4 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.8 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.93 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.43 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 53.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 58.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 137.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 272.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 12.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 894.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1155.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1476.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 2126.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 103.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 108.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 109.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 111.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1072330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1128330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1182330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1224330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.85 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.4 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.49 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 51300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 54300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 55300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5200000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5430000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5570000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 6000000.0 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 139.6 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.87 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 142.7 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 13.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14130.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15430.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 16700.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 16870.0 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 Solute carrier family 22 member 1 IC50 1640000.0 nM 10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus Solute carrier family 22 member 2 IC50 1700000.0 nM 10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus Solute carrier family 22 member 6 Activity nan None 10.1046/j.1523-1755.1999.00789.x
Rattus norvegicus Solute carrier family 22 member 6 Activity nan None None
Rattus norvegicus Solute carrier family 22 member 6 Ki 15800.0 nM 10.1016/s0014-2999(00)00837-2
Rattus norvegicus Solute carrier family 22 member 6 Ki 31000.0 nM None
Rattus norvegicus Solute carrier family 22 member 7 IC50 977000.0 nM 10.1254/jphs.94.197
Rattus norvegicus Solute carrier family 22 member 8 Activity 23.4 % 10.1097/00004647-200304000-00007
Rattus norvegicus Solute carrier family 22 member 8 Activity nan None 10.1074/jbc.274.19.13675
Rattus norvegicus Solute carrier family 22 member 8 IC50 6030.0 nM 10.1254/jphs.94.197
Rattus norvegicus Solute carrier family 22 member 8 Ki 4430.0 nM 10.1124/mol.61.5.982
Rattus norvegicus Solute carrier family 22 member 8 Ki 20000.0 nM None
Rattus norvegicus Solute carrier organic anion transporter family member 1A1 Inhibition 74.0 % 10.1016/0270-9139(94)90194-5
Rattus norvegicus Solute carrier organic anion transporter family member 1A1 Ki 74400.0 nM None
Rattus norvegicus Solute carrier organic anion transporter family member 1A3 Activity nan None None
Rattus norvegicus Solute carrier organic anion transporter family member 1A4 Ki 72900.0 nM 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 15.12 % 10.6019/CHEMBL4495564
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 0.08 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 1.35 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.2093 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Inhibition 13.34 % 10.6019/CHEMBL4513141
None ADMET Activity nan None 10.1021/acs.jnatprod.8b00888
None ADMET CL 0.25 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET delta logD 0.9 None 10.1021/jm0000564
None ADMET F 80.0 % 10.1021/jm0000564
None ADMET MRT 8.7 hr 10.1124/dmd.108.020479
None ADMET PPB 83.0 % 10.1016/j.ejmech.2019.01.043
None ADMET T1/2 4.0 hr 10.1016/j.ejmech.2019.01.043
None ADMET T1/2 5.9 hr 10.1124/dmd.108.020479
None ADMET Tmax 1.0 hr 10.1016/j.ejmech.2019.01.043
None ADMET Vdss 0.13 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports nan None 10.2174/1570163043334794
None NON-PROTEIN TARGET Fu 0.13 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 1.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Ratio 0.05 None 10.1021/jm00139a020
None No relevant target LogD 0.11 None 10.1021/jm0000564
None No relevant target LogD7.4 0.03 None 10.6019/CHEMBL3301361
None No relevant target Log Kmemb -3.1 None 10.1021/jm0309001
None No relevant target LogP -0.019 None 10.1007/s00044-009-9162-3
None No relevant target pKa 3.01 None 10.1007/s11095-013-1232-z
None No relevant target pKa 3.4 None 10.1021/jm0000564
None No relevant target pKa_A1 3.36 None 10.6019/CHEMBL3301361
None No relevant target Solubility 3.9 ug.mL-1 10.1016/j.bmc.2010.08.003
None No relevant target T1/2 0.27 hr 10.1021/acs.jmedchem.9b00917
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Ac50 0.2818 uM None
None Unchecked Ac50 1.122 uM None
None Unchecked Ac50 4.467 uM None
None Unchecked Ac50 5.623 uM None
None Unchecked Ac50 7.079 uM None
None Unchecked Ac50 7.943 uM None
None Unchecked AC50 281.8 nM None
None Unchecked AC50 1122.0 nM None
None Unchecked AC50 4470.0 nM None
None Unchecked AC50 5623.4 nM None
None Unchecked AC50 7079.5 nM None
None Unchecked AC50 7943.3 nM None
None Unchecked Activity nan None 10.1021/jm900194w
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 1.0 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 100000.0 nM 10.1021/acs.jmedchem.5b01091
None Unchecked IC50 nan None None
None Unchecked Ki 1100000.0 nM 10.1016/j.pharmthera.2004.10.013
None Unchecked Ki 1600000.0 nM 10.1016/j.pharmthera.2004.10.013
None Unchecked Ki nan None None
None Unchecked Potency 730.8 nM None
None Unchecked Ratio pKi -0.12 None 10.1074/jbc.m703467200

Metabolism Information