ONO-9910539

Ligand id: 8590

Name: ONO-9910539

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 124.29
Molecular weight 563.25
XLogP 5.61
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-methoxycarbonylpyrrol-3-yl]propanoic acid
Synonyms
ON9
Database Links
PubChem CID 91799237
RCSB PDB Ligand ON9
Search Google for chemical match using the InChIKey URHZQBASTULQKJ-VVFBEHOQSA-N
Search Google for chemicals with the same backbone URHZQBASTULQKJ
Search UniChem for chemical match using the InChIKey URHZQBASTULQKJ-VVFBEHOQSA-N
Search UniChem for chemicals with the same backbone URHZQBASTULQKJ
SynPHARM 82427 (in complex with LPA1 receptor)
Comments
ONO-9910539 is an antagonist of the lysophosphatidic acid receptor 1 (LPA1) [1].