AC-55541

Ligand id: 9456

Name: AC-55541

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 99.66
Molecular weight 517.07
XLogP 7.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
Synonyms
AC55541
Database Links
ChEMBL Ligand CHEMBL493076
PubChem CID 9589606
Search Google for chemical match using the InChIKey UCUHFWIFSHROPY-RWPZCVJISA-N
Search Google for chemicals with the same backbone UCUHFWIFSHROPY
Search UniChem for chemical match using the InChIKey UCUHFWIFSHROPY-RWPZCVJISA-N
Search UniChem for chemicals with the same backbone UCUHFWIFSHROPY
Comments
AC-55541 is a potent and selective small-molecule PAR2 agonist [1]. The compound is a metabolically stable pharmacological tool for studying PAR2 receptors.