VU6010608   Click here for help

GtoPdb Ligand ID: 9703

Synonyms: compound 11a [Reed et al., 2017)
Compound class: Synthetic organic
Comment: VU6010608 is a selective, negative allosteric modulator (NAM) of metabotropic glutamate receptor mGlu7 [1], and represents a novel chemotype. VU6010608 is CNS penetrant and effective in electrophysiology studies making it an ideal tool compound suitable for investigating the physiology and therapeutic potential of mGlu7, however, its in vivo utility is limited by total and free levels achieved in the brain.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 86.98
Molecular weight 408.1
XLogP 3.01
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1OC)C(=O)Nc1cc(ccc1n1ncnc1)OC(F)(F)F
Isomeric SMILES COc1ccc(cc1OC)C(=O)Nc1cc(ccc1n1ncnc1)OC(F)(F)F
InChI InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)
InChI Key YCDOKDADFOBKIL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3,4-dimethoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
Synonyms Click here for help
compound 11a [Reed et al., 2017)
Database Links Click here for help
GtoPdb PubChem SID 348353662
PubChem CID 131801162
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UniChem Connectivity Search for chemical match using the InChIKey YCDOKDADFOBKIL-UHFFFAOYSA-N