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Capsaicin

AlkaPlorer ID: AK319478

Synonym: None

IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide

Structure

SMILES: COC1=CC(CN=C(O)CCCC/C=C/C(C)C)=CC=C1O

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InChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+

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InChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N

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Reference

None

PubChem CID: 1548943

CAS: 25775-90-0

LOTUS: LTS0241286

SuperNatural Ⅲ: SN0452959-01

NPASS: NPC255550

Properties Information

Molecule Weight: 305.418

TPSA？: 62.05

MolLogP？: 4.629900000000005

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 89125.1 nM None
Bacillus subtilis Bacillus subtilis MIC 63000.0 nM 10.1039/C0MD00207K
Bacteria Cell membrane Activity nan None 10.1021/acs.jmedchem.2c01604
Bos taurus NADH-ubiquinone oxidoreductase chain 1 IC50 52480.75 nM 10.1016/0005-2728(95)00131-x
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Cavia porcellus Cavia porcellus Dose 0.018 uM kg-1 10.1021/jm960512h
Cavia porcellus Cavia porcellus EC50 260.0 nM 10.1021/jm00068a014
Cavia porcellus Cavia porcellus EC50 260.0 nM 10.1021/jm00068a015
Cavia porcellus Cavia porcellus EC50 260.0 nM 10.1021/jm00068a016
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
Diaprepes abbreviatus Diaprepes abbreviatus Activity 1.02 cm2 10.1002/ps.2125
Electrophorus electricus Acetylcholinesterase Activity 11.0 % 10.1021/acs.jmedchem.0c01775
Electrophorus electricus Acetylcholinesterase IC50 nan None 10.1007/s00044-008-9122-3
Electrophorus electricus Acetylcholinesterase Inhibition -6.53 % 10.1016/j.bmc.2012.09.040
Electrophorus electricus Acetylcholinesterase Inhibition 11.4 % 10.1007/s00044-008-9122-3
Electrophorus electricus Acetylcholinesterase Inhibition nan % 10.1007/s00044-008-9122-3
Equus caballus Cholinesterase Inhibition 6.29 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition nan % 10.1007/s00044-008-9122-3
Escherichia coli Escherichia coli MIC 50.0 ug.mL-1 10.1021/acs.jmedchem.2c01604
Homo sapiens A2058 IC50 100000.0 nM 10.1016/j.bmc.2019.05.020
Homo sapiens Acetylcholinesterase IC50 200000.0 nM 10.1021/acs.jmedchem.0c01775
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 26999.8 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 Aldehyde dehydrogenase 1A1 Potency 1995.3 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 15848.9 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 22387.2 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 28183.8 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 39810.7 nM None
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Androgen Receptor Activity nan None 10.1016/j.bmcl.2010.02.059
Homo sapiens Androgen Receptor Potency 10000.0 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 Arachidonate 15-lipoxygenase Potency 31622.8 nM None
Homo sapiens Arachidonate 5-lipoxygenase IC50 56000.0 nM 10.1016/j.bmc.2019.06.040
Homo sapiens ASPC1 Inhibition 73.0 % 10.1016/j.ejmech.2019.07.034
Homo sapiens Beta-1 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Beta-glucocerebrosidase Potency 17782.8 nM None
Homo sapiens Beta-secretase 1 Inhibition nan % 10.1021/acs.jmedchem.0c01775
Homo sapiens BGC-823 IC50 4659.0 nM 10.1016/j.ejmech.2021.113254
Homo sapiens Bile salt export pump IC50 10000.0 nM 10.1124/dmd.112.047068
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Butyrylcholinesterase Inhibition 20.0 % 10.1021/acs.jmedchem.0c01775
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki 5600.0 nM 10.1021/acs.jmedchem.0c00530
Homo sapiens Cannabinoid CB1 receptor Ki 10000.0 nM 10.1021/jm900130m
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Cannabinoid CB2 receptor Ki 10000.0 nM 10.1021/jm900130m
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 Cell line ED50 3.0 ug 10.1021/jm0495071
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chromobox protein homolog 1 Potency 100000.0 nM None
Homo sapiens Cyclooxygenase-1 IC50 1551.0 nM None
Homo sapiens Cyclooxygenase-1 IC50 3800.0 nM 10.1021/np049655u
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 3200.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 IC50 3000.0 nM None
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki 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 2E1 mechanism based inhibition nan None 10.2174/138920005774330639
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Cytochrome P450 3A4 Potency 2511.9 nM 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 7943.3 nM None
Homo sapiens DNA polymerase iota Potency 89125.1 nM None
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 23.0 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 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glutaminase kidney isoform, mitochondrial Potency 8912.5 nM None
Homo sapiens HCT-116 IC50 40160.0 nM 10.1021/acsmedchemlett.1c00304
Homo sapiens HEK-293T Activity nan None 10.1016/j.bmc.2019.05.020
Homo sapiens HeLa IC50 50000.0 nM 10.1016/j.bmc.2018.04.031
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -19.65 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -2.58 % 10.6019/CHEMBL4808148
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens K562 IC50 49410.0 nM 10.1016/j.bmc.2018.04.031
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 Lymphoblastoid cell Potency 3981.1 nM None
Homo sapiens Lymphoblastoid cell Potency 79432.8 nM None
Homo sapiens Lysine-specific histone demethylase 1 IC50 600.0 nM 10.1016/j.ejmech.2021.113254
Homo sapiens Lysine-specific histone demethylase 1 IC50 600.0 nM 10.1016/j.ejmech.2022.114143
Homo sapiens Lysine-specific histone demethylase 1 IC50 600.0 nM 10.1016/j.ejmech.2022.114564
Homo sapiens Lysine-specific histone demethylase 1 IC50 600.0 nM 10.1021/acs.jmedchem.0c02176
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 31622.8 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 MCF7 IC50 49970.0 nM 10.1016/j.bmc.2018.04.031
Homo sapiens MCF7 IC50 100000.0 nM 10.1021/acs.jmedchem.0c01679
Homo sapiens MDA-MB-231 Activity 281.3 mm3 10.1021/acs.jmedchem.0c00530
Homo sapiens MDA-MB-231 IC50 120000.0 nM 10.1021/acs.jmedchem.0c00530
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 158489.3 nM None
Homo sapiens Microtubule-associated protein tau Potency 15848.9 nM None
Homo sapiens Microtubule-associated protein tau Potency 17782.8 nM None
Homo sapiens Microtubule-associated protein tau Potency 31622.8 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Motilin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens NCI-H460 Activity 7.17 % 10.1021/acsmedchemlett.1c00304
Homo sapiens NCI-H460 Activity 7.25 % 10.1021/acsmedchemlett.1c00304
Homo sapiens NCI-H460 IC50 30660.0 nM 10.1021/acsmedchemlett.1c00304
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None None
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 10870.7 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 30637.9 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 42163.2 nM None
Homo sapiens Nuclear receptor ROR-gamma Potency 33491.5 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 50118.7 nM None
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Pregnane X receptor AC50 10999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 12000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 35481.3 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 15848.9 nM None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 20000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens SH-SY5Y EC50 14020.0 nM 10.1016/j.ejmech.2019.111695
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SK-MEL-25 IC50 100000.0 nM 10.1016/j.bmc.2019.05.020
Homo sapiens SK-OV-3 IC50 22030.0 nM 10.1021/acsmedchemlett.1c00304
Homo sapiens Survival motor neuron protein Potency 22387.2 nM None
Homo sapiens T47D IC50 100000.0 nM 10.1021/acs.jmedchem.0c01679
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 Transient receptor potential cation channel subfamily M member 8 IC50 1000.0 nM 10.1021/acs.jmedchem.6b00305
Homo sapiens Transient receptor potential cation channel subfamily V member 6 Activity nan None 10.1016/j.bmc.2019.05.020
Homo sapiens Transient receptor potential cation channel subfamily V member 6 Inhibition nan % 10.1039/d0md00145g
Homo sapiens Transthyretin Inhibition 20.0 % 10.1021/jm500997m
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 8912.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 11220.2 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29855.4 nM None
Homo sapiens Tyrosyl-tRNA synthetase Ki 42000.0 nM 10.1016/S0960-894X(97)00434-4
Homo sapiens U-87 MG IC50 100000.0 nM 10.1016/j.bmc.2019.05.020
Homo sapiens Vanilloid receptor Activity 0.01 uM 10.1038/nchembio0705-85
Homo sapiens Vanilloid receptor Activity nan None 10.1016/j.bmc.2019.03.025
Homo sapiens Vanilloid receptor Activity nan None 10.1016/j.bmc.2019.05.020
Homo sapiens Vanilloid receptor Activity nan None 10.1021/acs.jmedchem.2c00469
Homo sapiens Vanilloid receptor Activity nan None 10.1021/acs.jmedchem.8b00156
Homo sapiens Vanilloid receptor Activity nan None 10.1021/acs.jmedchem.9b01046
Homo sapiens Vanilloid receptor EC50 2.512 nM 10.1016/j.bmc.2010.03.013
Homo sapiens Vanilloid receptor EC50 3.9 nM 10.1016/j.bmcl.2011.12.113
Homo sapiens Vanilloid receptor EC50 5.3 nM 10.1016/j.bmcl.2015.01.039
Homo sapiens Vanilloid receptor EC50 5.3 nM 10.1021/acs.jnatprod.0c00639
Homo sapiens Vanilloid receptor EC50 7.2 nM 10.1016/j.bmc.2019.05.020
Homo sapiens Vanilloid receptor EC50 19.95 nM 10.1021/jm020844o
Homo sapiens Vanilloid receptor EC50 20.0 nM 10.1021/jm900130m
Homo sapiens Vanilloid receptor EC50 25.9 nM 10.1021/acs.jmedchem.9b01046
Homo sapiens Vanilloid receptor EC50 29.0 nM 10.1021/acs.jmedchem.2c00469
Homo sapiens Vanilloid receptor EC50 40.0 nM 10.1016/j.bmcl.2006.09.077
Homo sapiens Vanilloid receptor EC50 40.0 nM 10.1016/j.bmcl.2009.11.035
Homo sapiens Vanilloid receptor EC50 44.8 nM 10.1021/acs.jmedchem.0c00982
Homo sapiens Vanilloid receptor EC50 870.0 nM 10.1021/acs.jmedchem.8b00156
Homo sapiens Vanilloid receptor EC50 870.96 nM 10.1021/acs.jmedchem.8b00156
Homo sapiens Vanilloid receptor EC50 1000.0 nM 10.1021/acs.jmedchem.8b00109
Homo sapiens Vanilloid receptor EC50 30200.0 nM 10.1021/acs.jmedchem.0c00530
Homo sapiens Vanilloid receptor Efficacy 78.6 % 10.1016/j.bmcl.2011.12.113
Homo sapiens Vanilloid receptor Efficacy 78.6 % 10.1016/j.bmcl.2015.01.039
Homo sapiens Vanilloid receptor Efficacy 79.0 % 10.1021/acs.jnatprod.0c00639
Homo sapiens Vanilloid receptor Efficacy 100.0 % 10.1021/acs.jmedchem.2c00469
Homo sapiens Vanilloid receptor Emax 97.0 % 10.1016/j.bmc.2010.03.013
Homo sapiens Vanilloid receptor FC 1.13 None 10.1021/acs.jmedchem.8b00156
Homo sapiens Vanilloid receptor FC 2.81 None 10.1021/acs.jmedchem.8b00156
Homo sapiens Vanilloid receptor Hill coefficient 2.0 None 10.1021/jm960063l
Homo sapiens Vanilloid receptor IC50 8.0 nM 10.1016/j.bmcl.2015.01.039
Homo sapiens Vanilloid receptor IC50 8.0 nM 10.1021/acs.jnatprod.0c00639
Homo sapiens Vanilloid receptor Inhibition 96.74 % 10.1016/j.ejmech.2022.114413
Homo sapiens Vanilloid receptor Ki 6.0 nM 10.1016/j.bmcl.2010.09.023
Homo sapiens Vanilloid receptor Ki 1070.0 nM 10.1021/acs.jmedchem.9b01046
Homo sapiens Vanilloid receptor Ki 1140.0 nM 10.1021/acs.jmedchem.7b00859
Homo sapiens Vanilloid receptor Ki 2530.0 nM 10.1021/acs.jmedchem.7b00859
Homo sapiens Vanilloid receptor Potency 6.5 nM None
Homo sapiens Vanilloid receptor Potency 32.1 nM None
Homo sapiens Vanilloid receptor Potency 91.2 nM None
Homo sapiens Vanilloid receptor Ratio 1.885 None 10.1016/j.bmc.2018.04.031
Homo sapiens Vanilloid receptor Ratio 6.09 None 10.1021/acs.jmedchem.8b00156
Homo sapiens Vanilloid receptor Response 65.4 % 10.1021/jm020844o
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Voltage-gated potassium channel subunit Kv1.1 IC50 29000.0 nM 10.1021/acs.jmedchem.6b01262
Mus musculus B16-F10 IC50 100000.0 nM 10.1016/j.bmc.2019.05.020
Mus musculus Mus musculus Activity 0.099 mg/ml 10.1016/j.ejmech.2009.02.017
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2018.04.031
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2019.05.020
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.9b01046
Mus musculus Mus musculus ED50 5.72 umol.kg-1 10.1021/jm960512h
Mus musculus Mus musculus ED50 10.3 umol.kg-1 10.1021/jm960512h
Mus musculus Mus musculus ED50 15.0 umol.kg-1 10.1021/jm00068a014
Mus musculus Mus musculus ED50 15.0 umol.kg-1 10.1021/jm00068a015
Mus musculus Mus musculus ED50 15.0 umol.kg-1 10.1021/jm00068a016
Mus musculus Mus musculus ED50 962.0 umol.kg-1 10.1021/jm960512h
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Nuclear receptor ROR-gamma Potency 35481.3 nM None
Mus musculus Transient receptor potential cation channel subfamily M member 8 IC50 28000.0 nM 10.1021/np400885u
Mus musculus Transient receptor potential cation channel subfamily M member 8 IC50 100000.0 nM 10.1021/np400885u
Mus musculus Transient receptor potential cation channel subfamily M member 8 Inhibition nan % 10.1021/np400885u
Mus musculus Transient receptor potential cation channel subfamily V member 1 Activity nan None 10.1016/j.bmcl.2016.12.002
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Plasmodium falciparum Plasmodium falciparum Potency 19011.5 nM None
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus C6 Activity 20.0 % 10.1021/acs.jmedchem.0c01679
Rattus norvegicus Cyclooxygenase-1 AC50 21999.9 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Hormone-sensitive lipase Inhibition 33.0 % 10.1021/jm800718k
Rattus norvegicus Inositol monophosphatase 1 Potency 2818.4 nM None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Lysophosphatidic acid receptor Edg-2 Activity nan None 10.1021/acs.jmedchem.9b01287
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 9074.3 nM None
Rattus norvegicus Rattus norvegicus ALB 40700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 314.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 316.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 391.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 433.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 40.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 44.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 50.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 52.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 71.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 75.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 83.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 93.67 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 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BP -49.5 mmHg 10.1021/jm00033a011
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 173.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 180.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 183.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 105.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 107.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 570.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 620.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 680.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 756.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 166.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 217.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 554.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 629.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 27670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.1 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus DOSE 0.001 mg.kg-1 10.1021/jm00033a011
Rattus norvegicus Rattus norvegicus EC50 300.0 nM 10.1021/jm00039a006
Rattus norvegicus Rattus norvegicus EC50 300.0 nM 10.1021/jm00068a014
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 117.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 118.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 231.67 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 EOSLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1416.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1530.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1770.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1776.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.03 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.53 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.43 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.97 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 125300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 127000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 129700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 133300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LD50 161.2 mg.kg-1 10.1016/j.bmc.2018.04.031
Rattus norvegicus Rattus norvegicus LDH 115.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 119.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 121.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 471.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 8.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7477.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12147.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12823.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 14371.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 92.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 92.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.37 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.4 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.6 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.13 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 376300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 379000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 379300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 381300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.27 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.03 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.17 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.63 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 58.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 60.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 176.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 374.33 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 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 5.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 7.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 496.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 735.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1135.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1243.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 116.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 124.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 126.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 131.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1256670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1274000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1334000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1342330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.75 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.84 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.01 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.02 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5280000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5310000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5550000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5710000.0 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 145.1 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 147.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 11.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 17.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 8030.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13570.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13970.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 16000.0 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 Transient receptor potential cation channel subfamily A member 1 Activity nan None 10.1016/j.bmcl.2017.05.025
Rattus norvegicus Transient receptor potential cation channel subfamily A member 1 EC50 nan None 10.1016/j.bmcl.2015.01.039
Rattus norvegicus Transient receptor potential cation channel subfamily A member 1 Efficacy 100.0 % 10.1016/j.bmcl.2011.12.113
Rattus norvegicus Vanilloid receptor Activity -497.0 pA/pF 10.1021/acs.jnatprod.5b00599
Rattus norvegicus Vanilloid receptor Activity nan None 10.1016/j.bmc.2008.11.085
Rattus norvegicus Vanilloid receptor Activity nan None 10.1016/j.bmcl.2013.12.061
Rattus norvegicus Vanilloid receptor Activity nan None 10.1021/acs.jmedchem.9b01046
Rattus norvegicus Vanilloid receptor Activity nan None 10.1021/acs.jnatprod.5b00599
Rattus norvegicus Vanilloid receptor EC50 30.0 nM 10.1016/j.bmcl.2003.11.019
Rattus norvegicus Vanilloid receptor EC50 44.8 nM 10.1016/j.bmc.2008.11.085
Rattus norvegicus Vanilloid receptor EC50 44.8 nM 10.1021/acs.jmedchem.9b01046
Rattus norvegicus Vanilloid receptor EC50 44.8 nM 10.1021/jm030089u
Rattus norvegicus Vanilloid receptor EC50 300.0 nM 10.1021/jm00068a015
Rattus norvegicus Vanilloid receptor EC50 300.0 nM 10.1021/jm00068a016
Rattus norvegicus Vanilloid receptor EC50 300.0 nM 10.1021/jm960139d
Rattus norvegicus Vanilloid receptor EC50 300.0 nM 10.1021/jm960512h
Rattus norvegicus Vanilloid receptor EC50 2320.0 nM 10.1021/acsmedchemlett.8b00618
Rattus norvegicus Vanilloid receptor IC50 19.0 nM 10.1016/j.bmcl.2010.09.023
Rattus norvegicus Vanilloid receptor IC50 nan nM 10.1016/j.bmcl.2003.11.019
Rattus norvegicus Vanilloid receptor Ki 1700.0 nM 10.1021/jm030089u
Rattus norvegicus Vanilloid receptor Ki 1800.0 nM 10.1021/jm030089u
Rattus norvegicus Vanilloid receptor Ki 1808.0 nM 10.1016/j.bmc.2008.11.085
Rattus norvegicus Vanilloid receptor Ki 1810.0 nM 10.1021/acs.jmedchem.9b01046
Rattus norvegicus Vanilloid receptor Ki 2000.0 nM 10.1021/jm960063l
Rattus norvegicus Vanilloid receptor Ki 2000.0 nM 10.1021/jm960139d
Rattus norvegicus Vanilloid receptor NE nan None 10.1021/jm030089u
Schistocerca americana Schistocerca americana Activity 1.08 cm2 10.1002/ps.2125
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 5.3 % 10.1021/acs.jnatprod.2c00843
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 5.6 % 10.1021/acs.jnatprod.2c00843
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 26.63 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1538 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 -0.12 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 1.12 % 10.21203/rs.3.rs-23951/v1
Staphylococcus aureus Quinolone resistance protein norA FC 2.0 None 10.1021/acs.jmedchem.7b00215
Staphylococcus aureus Staphylococcus aureus MIC 50.0 ug.mL-1 10.1016/j.ejmech.2020.112352
Staphylococcus aureus Staphylococcus aureus MIC 50.0 ug.mL-1 10.1021/acs.jmedchem.2c01604
Trypanosoma brucei 6-phospho-1-fructokinase Potency 756.9 nM None
None ADMET Activity nan None 10.1021/acs.jmedchem.2c00469
None ADMET Activity nan None 10.1021/acs.jmedchem.9b01046
None ADMET CL 212.0 mL.min-1.kg-1 10.1021/acs.jmedchem.2c00469
None ADMET Drugabsorption nan None 10.1021/acs.jmedchem.9b01046
None ADMET Drug uptake nan None 10.1021/acs.jmedchem.9b01046
None ADMET LD50 6.5 mg.kg-1 10.1021/acs.jmedchem.2c00469
None ADMET LD50 7.5 mg.kg-1 10.1021/acs.jmedchem.9b01046
None ADMET LD50 118.8 mg.kg-1 10.1021/acs.jmedchem.9b01046
None ADMET permeability 10.3 10^-6 cm/s 10.1021/acs.jmedchem.0c01775
None ADMET Stability 96.0 % 10.1021/acs.jmedchem.8b00109
None ADMET Stability 99.0 % 10.1021/acs.jmedchem.8b00109
None ADMET Stability 99.3 % 10.1021/acs.jmedchem.8b00109
None ADMET Stability 100.0 % 10.1021/acs.jmedchem.8b00109
None Hepatotoxicity DILI positive/negative 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx1000865
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity Hepatotoxicity nan None 10.1124/dmd.110.035113
None Lipid bilayer Activity 18.0 uM 10.1021/acs.jmedchem.6b01026
None Lipid bilayer Activity nan None 10.1021/acs.jmedchem.0c00958
None Lipid bilayer deltaG -0.6 kcal/mol 10.1021/acs.jmedchem.0c00958
None Lipid bilayer deltaG -0.5 kcal/mol 10.1021/acs.jmedchem.0c00958
None Molecular identity unknown Potency 25118.9 nM None
None Molecular identity unknown Potency 39810.7 nM None
None No relevant target EC50 nan None 10.1021/acs.jmedchem.8b00156
None No relevant target IC50 50300.0 nM 10.1021/acs.jmedchem.0c01775
None No relevant target Stability nan % 10.1016/j.bmc.2019.03.025
None Unchecked Activity nan None 10.1021/acs.jmedchem.2c00469
None Unchecked EC50 16370.0 nM 10.1016/j.ejmech.2019.111695
None Unchecked HC50 200.0 ug ml-1 10.1021/acs.jmedchem.2c01604
None Unchecked IC50 16982.44 nM 10.1016/0005-2728(95)00131-x
None Unchecked IC50 100000.0 nM 10.1016/j.bmc.2019.05.020
None Unchecked IC50 134896.29 nM 10.1016/0005-2728(95)00131-x
None Unchecked IC50 nan None None
None Unchecked Inhibition 20.0 % 10.1016/0005-2728(95)00131-x
None Unchecked Inhibition nan % 10.1016/0005-2728(95)00131-x
None Unchecked Ki nan None None
None Unchecked Potency 1412.5 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 25118.9 nM None
None Unchecked Potency 35481.3 nM None
None Unchecked Potency 39810.7 nM None
None Unchecked Potency 44668.4 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004988 CC(C)/C=C/CCCCC(=O)[32S].COc1cc(CN)ccc1O>>COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O None
AKRT004989 CC(C)/C=C/CCCCC(=O)[CoA].COc1cc(CN)ccc1O>>COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O RXN-8927
AKRT011575 COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O>>CC(C)/C=C/CCCCC(=O)O MNXR192253
AKRT011576 COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O>>COc1cc(CN)ccc1O MNXR192253