Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Z5QA
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| Former ID |
DIB018470
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| Drug Name |
12S-HETE
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| Synonyms |
12S-Hete; 12(S)-HETE; 54397-83-0; 12(S)-Hydroxyeicosatetraenoic acid; CHEBI:34146; 12-Hete; (5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid; 12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12(S)-Hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoic acid; (5Z,8Z,10E,14Z)-(12S)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid; (5Z,8Z,10E,14Z)-(12S)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid; (S)-12-HETE; 12S-[3H]HETE; 12 hete; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; AC1NR1NB; 12(S)-hydroxyeicosatetraenoic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C20H32O3
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| Canonical SMILES |
CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O
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| InChI |
1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
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| InChIKey |
ZNHVWPKMFKADKW-LQWMCKPYSA-N
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| CAS Number |
CAS 54397-83-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
4266113, 7978570, 11038789, 14718419, 15024710, 17395775, 24895806, 26754745, 26754746, 39316569, 47810477, 48184717, 50110767, 77183168, 92309715, 99300629, 99302147, 104046388, 113859250, 135651372, 142970220, 162219524, 164789678, 178102154, 179205502, 227471497, 241094904, 242324953, 252455439, 252463834
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| ChEBI ID |
CHEBI:34146
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | G-protein coupled receptor 31 (GPR31) | Target Info | Agonist | [3] |
| Leukotriene B4 receptor 2 (LTB4R2) | Target Info | Agonist | [4] | |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Reactome | Leukotriene receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Gastrin-CREB signalling pathway via PKC and MAPK | |||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5508). | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3404). | |||
| REF 3 | Identification of the orphan G protein-coupled receptor GPR31 as a receptor for 12-(S)-hydroxyeicosatetraenoic acid. J Biol Chem. 2011 Sep 30;286(39):33832-40. | |||
| REF 4 | Hydroxyeicosanoids bind to and activate the low affinity leukotriene B4 receptor, BLT2. J Biol Chem. 2001 Apr 13;276(15):12454-9. | |||
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