VU2957   Click here for help

GtoPdb Ligand ID: 10135

Synonyms: compound 7 (Panarese et al., 2018) [1] | valiglurax | VU0652957
Compound class: Synthetic organic
Comment: VU2957 is a potent, selective and orally active positive allosteric modulator of the metabotropic glutamate receptor subtype 4 (mGlu4) [1]. It can cross the blood-brain barrier and has been evaluated as a preclinical candidate for the treatment of Parkinson's disease. Although it is active in vivo, the compound does not have the most conducive solubility. Selective activation of mGlu4 reduces motor symptoms in preclinical models of Parkinson's disease, primarily by decreasing the output of the indirect pathway in the basal ganglia.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 66.49
Molecular weight 329.09
XLogP 4.19
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FC(c1nccc2c1ccc(c2)Nc1n[nH]c2c1cccn2)(F)F
Isomeric SMILES FC(c1nccc2c1ccc(c2)Nc1n[nH]c2c1cccn2)(F)F
InChI InChI=1S/C16H10F3N5/c17-16(18,19)13-11-4-3-10(8-9(11)5-7-20-13)22-15-12-2-1-6-21-14(12)23-24-15/h1-8H,(H2,21,22,23,24)
InChI Key RUEXKBWCUUFJMY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine
Synonyms Click here for help
compound 7 (Panarese et al., 2018) [1] | valiglurax | VU0652957
Database Links Click here for help
GtoPdb PubChem SID 381118845
PubChem CID 134191471
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