ONO-3080573

Ligand id: 8588

Name: ONO-3080573

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 94.45
Molecular weight 518.23
XLogP 5.76
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropoxy]phenyl]cyclopropane-1-carboxylic acid
Synonyms
ON3
Database Links
PubChem CID 91799238
RCSB PDB Ligand ON3
Search Google for chemical match using the InChIKey FVESDCZDESZGHA-URLMMPGGSA-N
Search Google for chemicals with the same backbone FVESDCZDESZGHA
Search UniChem for chemical match using the InChIKey FVESDCZDESZGHA-URLMMPGGSA-N
Search UniChem for chemicals with the same backbone FVESDCZDESZGHA
SynPHARM 82425 (in complex with LPA1 receptor)
Comments
ONO-3080573 is an antagonist of the lysophosphatidic acid receptor 1 (LPAR1) [1].