compound A [PMID 24997608]

Ligand id: 8418

Name: compound A [PMID 24997608]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 49.77
Molecular weight 405.13
XLogP 5.85
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[3-[2-chloro-5-(trifluoromethoxy)phenyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
Database Links
PubChem CID 73777063
Search Google for chemical match using the InChIKey WUJVPELCYCESAP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WUJVPELCYCESAP
Search UniChem for chemical match using the InChIKey WUJVPELCYCESAP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WUJVPELCYCESAP
Comments
Compound A is a selective agonist of the free fatty acid receptor 4 (FFA4R) [1]. The compound is a small molecule, orally active mimic of ω-3-fatty acids, the endogenous ligands of FFA4R [2].