AZ11657312 (salt free)

Ligand id: 7722

Name: AZ11657312 (salt free)

Structure and Physico-chemical Properties

2D Structure
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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 4.27
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. AstraZeneca. 
Accessed on 12/09/2014. Modified on 12/09/2014.,
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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.
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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.
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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.
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