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Chemical structure of Valiglurax

GC70108

Valiglurax

Also known as N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine

Valiglurax (VU0652957) is an orally effective selective positive allosteric modulator of mGlu4, with EC50 values of 64·6 nM and 197 nM for hmGlu4 and rmGlu4 GIRK, respectively· Valiglurax is a central nervous system (CNS) penetrant· Valiglurax can be used in research on Parkinson's disease

ChemicalCAS1976050-09-5MW329.28FormulaC16H10F3N5
CAS number
1976050-09-5
Molecular weight
329.28
Formula
C16H10F3N5
Solubility
DMSO ： 125 mg/mL (379·62 mM; Need ultrasonic)
InChIKey
RUEXKBWCUUFJMY-UHFFFAOYSA-N
Catalogue number
GC70108
Brand
GLPBIO
Computed properties PubChem CID 134191471 · XLogP 3.8 · TPSA 66.5 Ų · H-bond donors 2
XLogP
3.8
TPSA
66.5 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
24

SMILES C1=CC2=C(NN=C2N=C1)NC3=CC4=C(C=C3)C(=NC=C4)C(F)(F)F

Computed descriptors from PubChem (CID 134191471), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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