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
SMILES / InChI / InChIKey
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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)
InChI Key FQMZXMVHHKXGTM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(1-adamantyl)-N-[2-[2-(2-hydroxyethylamino)ethylamino]quinolin-5-yl]acetamide
Synonyms Click here for help
AZ 10606120 | AZ-10606120 | compound 43 [PMID: 19191585] | compound-17 [PMID: 18071294] [3]
Database Links Click here for help
BindingDB Ligand 50414283
ChEMBL Ligand CHEMBL562308
GtoPdb PubChem SID 315661106
PubChem CID 10310632
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