AC-98170

Ligand id: 9457

Name: AC-98170

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 98.8
Molecular weight 327.1
XLogP 5.17
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S,4R)-2-oxo-4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyrrolidine-3-carboxamide
Synonyms
AC98170
Database Links
BindingDB Ligand 50412716
ChEMBL Ligand CHEMBL494303
PubChem CID 9696680
Search Google for chemical match using the InChIKey GNFXCDMTRHENBV-CJINARDKSA-N
Search Google for chemicals with the same backbone GNFXCDMTRHENBV
Search UniChem for chemical match using the InChIKey GNFXCDMTRHENBV-CJINARDKSA-N
Search UniChem for chemicals with the same backbone GNFXCDMTRHENBV
Comments
AC-98170 is a potent and selective small-molecule PAR2 agonist [1]. The compound is a metabolically stable pharmacological tool for studying PAR2 receptors.