setogepram

Ligand id: 10043

Name: setogepram

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 37.3
Molecular weight 206.13
XLogP 4.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(3-pentylphenyl)acetic acid
International Nonproprietary Names
INN number INN
10332 setogepram
Synonyms
3-pentylbenzeneacetic acid | PBI-4050 | PBI4050
Comments
PBI-4050 is an orally active, synthetic analogue of a medium-chain fatty acid that displays agonist and antagonist ligand affinity toward GPR40 and GPR84, respectively [1]. it is a potentially novel first-in-class compound with significant antifibrotic and antiinflammatory activities that is being developed by Prometic Life Sciences.
Database Links
CAS Registry No. 1002101-19-0 (source: WHO INN record)
GtoPdb PubChem SID 375973231
PubChem CID 24749700
Search Google for chemical match using the InChIKey PEGQOIGYZLJMIB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PEGQOIGYZLJMIB
Search PubMed clinical trials setogepram
Search PubMed titles setogepram
Search PubMed titles/abstracts setogepram
Search UniChem for chemical match using the InChIKey PEGQOIGYZLJMIB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PEGQOIGYZLJMIB