AZD8529   Click here for help

GtoPdb Ligand ID: 7678

Synonyms: AZD 8529 | AZD-8529
Compound class: Synthetic organic
Comment: AZD8529 is a metabotropic glutamate receptor 2 (mGluR2) positive allosteric modulator. Since the original schizophrenia indication is not being pursued it is offered for clinical and preclinical research to explore novel biology with a view to repurposing (it was also in the 2012 NCATS set). Discussed as Case Study (1) in the AZ 2014 review paper [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 83.73
Molecular weight 487.18
XLogP 3.87
No. Lipinski's rules broken 0
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Canonical SMILES Cc1cc(cc2c1C(=O)N(C2)Cc1ccc(cc1)OC(F)(F)F)c1onc(n1)CN1CCNCC1
Isomeric SMILES Cc1cc(cc2c1C(=O)N(C2)Cc1ccc(cc1)OC(F)(F)F)c1onc(n1)CN1CCNCC1
InChI InChI=1S/C24H24F3N5O3/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27/h2-5,10-11,28H,6-9,12-14H2,1H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AZD 8529 | AZD-8529
Database Links Click here for help
Specialist databases
GPCRdb Ligand AZD8529
Other databases
GtoPdb PubChem SID 223366013
PubChem CID 25125217
Search Google for chemical match using the InChIKey IPCYZQQFECEHLI-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey IPCYZQQFECEHLI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IPCYZQQFECEHLI-UHFFFAOYSA-N