AZ8838

Ligand id: 9585

Name: AZ8838

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 48.91
Molecular weight 234.12
XLogP 3.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(S)-(4-fluoro-2-propylphenyl)(1H-imidazol-2-yl)methanol
Database Links
GtoPdb PubChem SID 340590216
PubChem CID 126961334
RCSB PDB Ligand 8TZ
Search Google for chemical match using the InChIKey IDFPQEHZYBXIFO-LBPRGKRZSA-N
Search Google for chemicals with the same backbone IDFPQEHZYBXIFO
Search UniChem for chemical match using the InChIKey IDFPQEHZYBXIFO-LBPRGKRZSA-N
Search UniChem for chemicals with the same backbone IDFPQEHZYBXIFO
SynPHARM 84449 (in complex with PAR2)
84447 (in complex with PAR2)
84448 (in complex with PAR2)
Comments
AZ8838 is a PAR2 antagonist that binds to PAR2 in a fully occluded pocket near the extracellular surface and competes with the tethered ligand. It was optimised from the weak antagonist, AZ7188 [1].