VPC12249

Basic Information

CAS ID: 403520-23-0
Molecular Formula: C34H52NO6P
Molecular Weight: 601.8 g/mol
Monoisotopic Mass: 601.3532 g/mol
Class: Small Molecule
Natural Product: No
Other Names:
Analysis: Drug repositioning mechanism analysis

O NH O P O OH OH O

Compound Structure and Identifier

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- See All
InChI Key: NJLPYJKKKSBCSK-KTKRTIGZSA-N
Smiles: CCCCCCCC\C=C/CCCCCCCC(=O)NC(COP(=O)(O)O)Cc1ccc(OCc2ccccc2)cc1 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0140 Lysophosphatidic acid receptor 1 antagonist
T0141 Lysophosphatidic acid receptor 3 antagonist

Related Fibrosis Property

Reference Record 1

PubMed ID 21545790 Target ID T0140
Uniprot ID Lysophosphatidic acid receptor 1 Name Lysophosphatidic acid receptor 1
Model vitro,mice Fibrosis Disease Pulmonary fibrosis
Process I
Process II fibroblasts proliferation
Process III prevenet collagen deposition
Mechanism Targeting CTGF

Reference Record 2

PubMed ID 21545790 Target ID T0141
Uniprot ID Lysophosphatidic acid receptor 3 Name Lysophosphatidic acid receptor 3
Model vitro,mice Fibrosis Disease Pulmonary fibrosis
Process I
Process II fibroblasts proliferation
Process III prevenet collagen deposition
Mechanism Targeting CTGF

Reference Record 3

PubMed ID 18066075 Target ID T0140
Uniprot ID Lysophosphatidic acid receptor 1 Name Lysophosphatidic acid receptor 1
Model vitro,mice Fibrosis Disease Idiopathic pulmonary fibrosis
Process I
Process II fibroblasts migration
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 5311306
ChEMBL: CHEMBL262906