GW791343

Ligand id: 9022

Name: GW791343

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 56.4
Molecular weight 374.19
XLogP 2.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(3,4-difluorophenyl)amino]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide
Synonyms
GW-791343
Database Links
CAS Registry No. 1019779-04-4 (source: PubChem)
ChEMBL Ligand CHEMBL3186981
GtoPdb PubChem SID 315661107
PubChem CID 9848160
RCSB PDB Ligand 7RS
Search Google for chemical match using the InChIKey GRUWKTIRBBPZSD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GRUWKTIRBBPZSD
Search UniChem for chemical match using the InChIKey GRUWKTIRBBPZSD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GRUWKTIRBBPZSD
Comments
GW791343 is an negative allosteric modulator of the human P2X7 receptor, but is a positive modulator of the rat orthologue [1]. Mutational studies suggest that amino acid 95 is a key residue in determining the species difference in antagonist effects [2]. The position 95 residue is phenylalanine in human P2X7 receptors, and leucine in rat.