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]
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.
Database Links
BindingDB Ligand 50412708
ChEMBL Ligand CHEMBL494502
GtoPdb PubChem SID 329968400
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

Product suppliers

Tocris
AC 264613
Cat. No. 3370