Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0PI4H
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| Former ID |
DIB021163
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| Drug Name |
VPC12249
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| Synonyms |
VPC 12249; VPC-12249
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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 |
C34H52NO6P
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| Canonical SMILES |
CCCCCCCCC=CCCCCCCCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)COP(=O)(O)O
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| InChI |
1S/C34H52NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(36)35-32(29-41-42(37,38)39)27-30-23-25-33(26-24-30)40-28-31-20-17-16-18-21-31/h9-10,16-18,20-21,23-26,32H,2-8,11-15,19,22,27-29H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t32-/m1/s1
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| InChIKey |
NJLPYJKKKSBCSK-MJPIYRIWSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Lysophosphatidate-3 receptor (LPAR3) | Target Info | Antagonist | [2] |
| Lysophosphatidic acid receptor 1 (LPAR1) | Target Info | Antagonist | [2] | |
| Sphingosine-1-phosphate receptor 3 (S1PR3) | Target Info | Agonist | [3] | |
| KEGG Pathway | Rap1 signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| PI3K-Akt signaling pathway | ||||
| Pathways in cancer | ||||
| Sphingolipid signaling pathway | ||||
| Gap junction | ||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
| Pathway Interaction Database | LPA receptor mediated events | |||
| S1P3 pathway | ||||
| Sphingosine 1-phosphate (S1P) pathway | ||||
| Reactome | G alpha (q) signalling events | |||
| G alpha (i) signalling events | ||||
| Lysosphingolipid and LPA receptors | ||||
| WikiPathways | Gastrin-CREB signalling pathway via PKC and MAPK | |||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| Signal Transduction of S1P Receptor | ||||
| Small Ligand GPCRs | ||||
| Myometrial Relaxation and Contraction Pathways | ||||
| 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: 2909). | |||
| REF 2 | Activity of 2-substituted lysophosphatidic acid (LPA) analogs at LPA receptors: discovery of a LPA1/LPA3 receptor antagonist. Mol Pharmacol. 2001 Dec;60(6):1173-80. | |||
| REF 3 | Synthesis and biological evaluation of gamma-aminophosphonates as potent, subtype-selective sphingosine 1-phosphate receptor agonists and antagonists. Bioorg Med Chem. 2007 Jan 15;15(2):663-77. | |||
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