AZ11657312 (salt free)

Ligand id: 7722

Name: AZ11657312 (salt free)

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 70.67
Molecular weight 437.27
XLogP 4.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. AstraZeneca. 
AZ11657312.
Accessed on 12/09/2014. Modified on 12/09/2014. astrazeneca.com, http://openinnovation.astrazeneca.com/what-we-offer/compound/az11657312/
2. Broom DC, Matson DJ, Bradshaw E, Buck ME, Meade R, Coombs S, Matchett M, Ford KK, Yu W, Yuan J et al.. (2008)
Characterization of N-(adamantan-1-ylmethyl)-5-[(3R-amino-pyrrolidin-1-yl)methyl]-2-chloro-benzamide, a P2X7 antagonist in animal models of pain and inflammation.
J. Pharmacol. Exp. Ther.327 (3): 620-33. [PMID:18772321]
3. 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]
4. Lister MF, Sharkey J, Sawatzky DA, Hodgkiss JP, Davidson DJ, Rossi AG, Finlayson K. (2007)
The role of the purinergic P2X7 receptor in inflammation.
J Inflamm (Lond)4: 5. [PMID:17367517]