AZD6538   Click here for help

GtoPdb Ligand ID: 6440

Synonyms: AZD 6538 | AZD-6538
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 99.39
Molecular weight 291.06
XLogP 2.55
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1ccc(nc1)c1noc(n1)c1cc(F)cc(c1)C#N
Isomeric SMILES N#Cc1ccc(nc1)c1noc(n1)c1cc(F)cc(c1)C#N
InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu5 receptor Hs Allosteric modulator Negative 7.6 pKi - 1
pKi 7.6 (Ki 2.8x10-8 M) [1]
mGlu5 receptor Hs Allosteric modulator Negative 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.34x10-8 M) [1]