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
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.
Database Links
BindingDB Ligand 50412716
ChEMBL Ligand CHEMBL494303
GtoPdb PubChem SID 329968397
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