AC264613

Ligand id: 9460

Name: AC264613

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 70.56
Molecular weight 399.06
XLogP 6.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S,4R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
Synonyms
AC-264613 | compound 3 [PMID: 18720984]
Database Links
BindingDB Ligand 50412708
ChEMBL Ligand CHEMBL494502
PubChem CID 25108278
Search Google for chemical match using the InChIKey RQKXQCSEZPQBNZ-QSBCOWLBSA-N
Search Google for chemicals with the same backbone RQKXQCSEZPQBNZ
Search UniChem for chemical match using the InChIKey RQKXQCSEZPQBNZ-QSBCOWLBSA-N
Search UniChem for chemicals with the same backbone RQKXQCSEZPQBNZ
Comments
AC264613 is a potent and selective, small molecule agonist of the PAR2 receptor [2]. It is a suitable pharmacological tool for examining the functions of PAR2 receptors.