U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H11F6N5
Molecular Weight 447.336
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DECOGLURANT

SMILES

NC1=NC=C(C=C1)C#CC2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F

InChI

InChIKey=DMJHZVARRXJSEG-UHFFFAOYSA-N
InChI=1S/C21H11F6N5/c22-20(23,24)15-6-4-13(5-7-15)16-9-17(21(25,26)27)32-19(31-16)14(11-30-32)3-1-12-2-8-18(28)29-10-12/h2,4-11H,(H2,28,29)

HIDE SMILES / InChI

Molecular Formula C21H11F6N5
Molecular Weight 447.336
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Decoglurant is a negative allosteric modulator of the mGlu2 and mGlu receptors developed by Roche. Decoglurant was investigated in a phase 2 clinical trials in patients with major depressive disorder. Negative results were reported and the development was discontinued in 2015.

Originator

Approval Year

PubMed

Substance Class Chemical
Record UNII
5VX4P0JKC5
Record Status Validated (UNII)
Record Version