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

1. Donnelly-Roberts DL, Jarvis MF. (2007)
Discovery of P2X7 receptor-selective antagonists offers new insights into P2X7 receptor function and indicates a role in chronic pain states.
Br. J. Pharmacol., 151 (5): 571-9. [PMID:17471177]
2. Khalafalla MG, Woods LT, Camden JM, Khan AA, Limesand KH, Petris MJ, Erb L, Weisman GA. (2017)
P2X7 receptor antagonism prevents IL-1β release from salivary epithelial cells and reduces inflammation in a mouse model of autoimmune exocrinopathy.
J. Biol. Chem., 292 (40): 16626-16637. [PMID:28798231]