DECOGLURANT

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Search structure


Synonyms	Decoglurant RO-4995819 RO4995819 Rg1578
Status
Molecule Category	Free-form
UNII	5VX4P0JKC5

Structure


InChI Key	DMJHZVARRXJSEG-UHFFFAOYSA-N
Smiles	Nc1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1
InChI	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)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H11F6N5
Molecular Weight	447.34
AlogP	4.81
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	69.1
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	32.0

Pharmacology

Mechanism of Action	Action	Reference
Metabotropic glutamate receptor 2 modulator	MODULATOR	Wikipedia

Target Conservation


Protein: Metabotropic glutamate receptor 2 Description: Metabotropic glutamate receptor 2 Organism : Homo sapiens Q14416 ENSG00000164082













Protein: Metabotropic glutamate receptor 3 Description: Metabotropic glutamate receptor 3 Organism : Homo sapiens Q14832 ENSG00000198822

Cross References

Resources	Reference
ChEMBL	CHEMBL3301593
DrugBank	DB11923
FDA SRS	5VX4P0JKC5
PubChem	71533696
SureChEMBL	SCHEMBL1346277
ZINC	ZINC000115922684

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025