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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
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

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Patents

Patents

07238808
4
07446113
6
07718661
4
08063048
6
20060217387
1
20070167460
1
20080300250
1
20100210642
1
JP4801724B2
1
Substance Class Chemical
Created
by admin
on Sat Dec 16 02:05:40 UTC 2023
Edited
by admin
on Sat Dec 16 02:05:40 UTC 2023
Record UNII
5VX4P0JKC5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DECOGLURANT
INN   USAN  
USAN   INN  
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
Created by admin on Sat Dec 16 02:05:40 UTC 2023 , Edited by admin on Sat Dec 16 02:05:40 UTC 2023
PRIMARY
NCI_THESAURUS
C166865
Created by admin on Sat Dec 16 02:05:40 UTC 2023 , Edited by admin on Sat Dec 16 02:05:40 UTC 2023
PRIMARY
WIKIPEDIA
Decoglurant
Created by admin on Sat Dec 16 02:05:40 UTC 2023 , Edited by admin on Sat Dec 16 02:05:40 UTC 2023
PRIMARY
PUBCHEM
71533696
Created by admin on Sat Dec 16 02:05:40 UTC 2023 , Edited by admin on Sat Dec 16 02:05:40 UTC 2023
PRIMARY
DRUG BANK
DB11923
Created by admin on Sat Dec 16 02:05:40 UTC 2023 , Edited by admin on Sat Dec 16 02:05:40 UTC 2023
PRIMARY
INN
9748
Created by admin on Sat Dec 16 02:05:40 UTC 2023 , Edited by admin on Sat Dec 16 02:05:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID001031872
Created by admin on Sat Dec 16 02:05:40 UTC 2023 , Edited by admin on Sat Dec 16 02:05:40 UTC 2023
PRIMARY
USAN
BC-101
Created by admin on Sat Dec 16 02:05:40 UTC 2023 , Edited by admin on Sat Dec 16 02:05:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL3301593
Created by admin on Sat Dec 16 02:05:40 UTC 2023 , Edited by admin on Sat Dec 16 02:05:40 UTC 2023
PRIMARY
CAS
911115-16-7
Created by admin on Sat Dec 16 02:05:40 UTC 2023 , Edited by admin on Sat Dec 16 02:05:40 UTC 2023
PRIMARY
FDA UNII
5VX4P0JKC5
Created by admin on Sat Dec 16 02:05:40 UTC 2023 , Edited by admin on Sat Dec 16 02:05:40 UTC 2023
PRIMARY
Related Record Type Details
METABOTROPIC GLUTAMATE RECEPTOR 2
TARGET->NEGATIVE ALLOSTERIC MODULATOR (NAM)
METABOTROPIC GLUTAMATE RECEPTOR 3
TARGET->NEGATIVE ALLOSTERIC MODULATOR (NAM)
Related Record Type Details
Structure of DECOGLURANT
ACTIVE MOIETY
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