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Chemical structure of mGluR2 antagonist 1

GC61061

mGluR2 antagonist 1

Also known as 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide

mGluR2 antagonist 1 is a highly potent, orally bioavailable and selective class of mGluR2 negative allosteric modulator (IC50 of 9 nM) with excellent brain permeability

ChemicalCAS1432728-49-8MW377.37FormulaC21H16FN3O3
CAS number
1432728-49-8
Molecular weight
377.37
Formula
C21H16FN3O3
Solubility
DMSO: 100 mg/mL (264·99 mM)
InChIKey
XSTBUOHORFUCIB-UHFFFAOYSA-N
Catalogue number
GC61061
Brand
GLPBIO
Computed properties PubChem CID 71566598 · XLogP 1.8 · TPSA 93.4 Ų · H-bond donors 1
XLogP
1.8
TPSA
93.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28

SMILES C1CC(=O)N(C1=O)CC2=CC3=C(C=C2)C(=CC(=N3)C(=O)N)C4=CC=C(C=C4)F

Computed descriptors from PubChem (CID 71566598), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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