Ligand id: 4118

Name: A438079

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 56.49
Molecular weight 305.02
XLogP 3.19
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Immunopharmacology Comments
A438079 has shown in vivo anti-inflammatory activity in a mouse model of salivary gland exocrinopathy, which suggets that P2X7R antagonism may be a novel mechanism that could be exploited to ameliorate symptoms of Sjögrens syndrome (e.g. to reduce salivary gland inflammation and improve secretory function) [2].