DECOGLURANT

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 Search

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

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/30447328 | https://adisinsight.springer.com/drugs/800034342

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

Title	Date	PubMed

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:05:40 GMT 2023` Edited by `admin` on `Sat Dec 16 02:05:40 GMT 2023`
Record UNII	5VX4P0JKC5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DECOGLURANT

Official Name

English

RO-4995819

Code

English

DECOGLURANT [USAN]

Common Name

English

2-PYRIDINAMINE, 5-(2-(7-(TRIFLUOROMETHYL)-5-(4-(TRIFLUOROMETHYL)PHENYL)PYRAZOLO(1,5-A)PYRIMIDIN-3-YL)ETHYNYL)-

Systematic Name

English

2-PYRIDINAMINE, 5-((7-(TRIFLUOROMETHYL)-5-(4-(TRIFLUOROMETHYL)PHENYL)PYRAZOLO(1,5-A)PYRIMIDIN-3-YL)ETHYNYL)-

Systematic Name

English

decoglurant [INN]

Common Name

English

Decoglurant [WHO-DD]

Common Name

English

5-(2-{7-(Trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}ethynyl)pyridin-2-amine

Systematic Name

English

RO4995819

Code

English

Code System Code Type Description

SMS_ID

300000034094