compound 39 [PMID: 23623673]

Ligand id: 8875

Name: compound 39 [PMID: 23623673]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.78
Molecular weight 389.07
XLogP 7.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
Database Links
ChEMBL Ligand CHEMBL2387503
PubChem CID 56589615
Search Google for chemical match using the InChIKey VTGCIWWYBFGGNJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VTGCIWWYBFGGNJ
Search UniChem for chemical match using the InChIKey VTGCIWWYBFGGNJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VTGCIWWYBFGGNJ
Comments
Compound 39 is reported as a selective inhibitor of microsomal prostaglandin E2 synthase-1 (mPGES1; PTGES) [1]. The compound was screened against other prostaglandin/leukotriene synthetic enzymes to assess selectivity.