Drug Information

Drug General Information
Drug ID
D0PI4H
Former ID
DIB021163
Drug Name
VPC12249
Synonyms
VPC 12249; VPC-12249
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539926]
Structure
Download
2D MOL
Formula
C34H52NO6P
InChI
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
InChIKey
NJLPYJKKKSBCSK-MJPIYRIWSA-N
PubChem Compound ID
10282223
PubChem Substance ID
15287215, 22659175, 35554228, 79638395, 103302934, 104034873, 135651308, 238111492
Target and Pathway
Target(s) Lysophosphatidate-3 receptor Target Info Antagonist [526205]
Sphingosine-1-phosphate receptor-3 Target Info Agonist [528528]
Lysophosphatidic acid receptor Edg-2 Target Info Antagonist [526205]
KEGG Pathway Rap1 signaling pathway
Neuroactive ligand-receptor interaction
PI3K-Akt signaling pathway
Pathways in cancerhsa04071:Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04015:Rap1 signaling pathway
Gap junction
Pathways in cancer
NetPath Pathway TGF_beta_Receptor Signaling Pathway
Pathway Interaction Database LPA receptor mediated eventss1p_s1p3_pathway:S1P3 pathway
Sphingosine 1-phosphate (S1P) pathwaylysophospholipid_pathway:LPA receptor mediated events
Reactome G alpha (q) signalling events
G alpha (i) signalling events
Lysosphingolipid and LPA receptorsR-HSA-418594:G alpha (i) signalling events
Lysosphingolipid and LPA receptorsR-HSA-416476:G alpha (q) signalling events
Lysosphingolipid and LPA receptors
WikiPathways Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signalingWP26:Signal Transduction of S1P Receptor
Small Ligand GPCRs
GPCR downstream signalingWP289:Myometrial Relaxation and Contraction Pathways
GPCR downstream signaling
References
Ref 539926(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 526205Activity 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 528528Synthesis 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. Epub2006 Nov 1.

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