Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0SM3V
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| Former ID |
DIB018465
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| Drug Name |
12-hydroxyheptadecatrienoic acid
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| Synonyms |
12S-HHTrE
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|
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C17H28O3
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| Canonical SMILES |
CCCCCC(C=CC=CCC=CCCCC(=O)O)O
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| InChI |
1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1
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| InChIKey |
KUKJHGXXZWHSBG-WBGSEQOASA-N
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| CAS Number |
CAS 54397-84-1
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:63977
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Leukotriene B4 receptor 2 (LTB4R2) | Target Info | Agonist | [2] |
| 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: 6159). | |||
| REF 2 | 12(S)-Hydroxyheptadeca-5Z, 8E, 10E-trienoic acid is a natural ligand for leukotriene B4 receptor 2. J Exp Med. 2008 Apr 14;205(4):759-66. | |||
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