ONO-9780307

Ligand id: 8589

Name: ONO-9780307

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 107.22
Molecular weight 521.24
XLogP 5.87
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxycarbonylpyrrol-3-yl]acetic acid
Synonyms
ON7 | ONO9780307
Database Links
PubChem CID 11785732
RCSB PDB Ligand ON7
Search Google for chemical match using the InChIKey PMPFDANPLYTSTM-PWUYWRBVSA-N
Search Google for chemicals with the same backbone PMPFDANPLYTSTM
Search UniChem for chemical match using the InChIKey PMPFDANPLYTSTM-PWUYWRBVSA-N
Search UniChem for chemicals with the same backbone PMPFDANPLYTSTM
SynPHARM 82426 (in complex with LPA1 receptor)
Comments
ONO-9780307 is an antagonist of the lysophosphatidic acid receptor 1 (LPA1) [1].