Ligand id: 9021

Name: AZ10606120

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 86.28
Molecular weight 422.27
XLogP 4.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Adinolfi E, Raffaghello L, Giuliani AL, Cavazzini L, Capece M, Chiozzi P, Bianchi G, Kroemer G, Pistoia V, Di Virgilio F. (2012)
Expression of P2X7 receptor increases in vivo tumor growth.
Cancer Res., 72 (12): 2957-69. [PMID:22505653]
2. Guile SD, Alcaraz L, Birkinshaw TN, Bowers KC, Ebden MR, Furber M, Stocks MJ. (2009)
Antagonists of the P2X(7) receptor. From lead identification to drug development.
J. Med. Chem., 52 (10): 3123-41. [PMID:19191585]
3. Michel AD, Chambers LJ, Walter DS. (2008)
Negative and positive allosteric modulators of the P2X(7) receptor.
Br. J. Pharmacol., 153 (4): 737-50. [PMID:18071294]
4. Michel AD, Clay WC, Ng SW, Roman S, Thompson K, Condreay JP, Hall M, Holbrook J, Livermore D, Senger S. (2008)
Identification of regions of the P2X(7) receptor that contribute to human and rat species differences in antagonist effects.
Br. J. Pharmacol., 155 (5): 738-51. [PMID:18660826]