AZ10606120   Click here for help

GtoPdb Ligand ID: 9021

Synonyms: AZ 10606120 | AZ-10606120 | compound 43 [PMID: 19191585] | compound-17 [PMID: 18071294] [3]
Compound class: Synthetic organic
Comment: AZ10606120 is a negative allosteric modulator of the human P2X7 receptor [3-4]. As a research compound AZ10606120 is being studied for its potential antineoplastic activity [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 86.28
Molecular weight 422.27
XLogP 4.8
No. Lipinski's rules broken 0
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Canonical SMILES OCCNCCNc1ccc2c(n1)cccc2NC(=O)CC12CC3CC(C2)CC(C1)C3
Isomeric SMILES OCCNCCNc1ccc2c(n1)cccc2NC(=O)CC12CC3CC(C2)CC(C1)C3
InChI InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)
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]