AZ3451

Ligand id: 9560

Name: AZ3451

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 89.17
Molecular weight 570.13
XLogP 7.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide
Database Links
GtoPdb PubChem SID 336446946
PubChem CID 126961335
RCSB PDB Ligand 8UN
Search Google for chemical match using the InChIKey FJAOGFGHTPYADT-SFHVURJKSA-N
Search Google for chemicals with the same backbone FJAOGFGHTPYADT
Search UniChem for chemical match using the InChIKey FJAOGFGHTPYADT-SFHVURJKSA-N
Search UniChem for chemicals with the same backbone FJAOGFGHTPYADT
SynPHARM 84335 (in complex with PAR2)
84336 (in complex with PAR2)
84445 (in complex with PAR2)
Comments
AZ3451 is a negative allosteric modulator of protease-activated receptor 2 (PAR2) that prevents receptor activation and signalling [1]. Substantial evidence indicates that PARs are involved in inflammatory disease, with roles in causing inflammatory reactions in peripheral limb tissue, and modulating arthritic joint inflammation and pain.