BASIMGLURANT

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Search structure


Synonyms	Basimglurant NOE-101 RG-7090 RO-4917523 RO4917523 Rg7090
Status
Molecule Category	Free-form
UNII	3110E3AO8S

Structure


InChI Key	UPZWINBEAHDTLA-UHFFFAOYSA-N
Smiles	Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
InChI	InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H13ClFN3
Molecular Weight	325.77
AlogP	4.08
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	30.71
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	23.0

Pharmacology

Mechanism of Action	Action	Reference
Metabotropic glutamate receptor 5 modulator	MODULATOR	Other Other

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) Metabotropic glutamate receptor	-	7	-	36	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	7	-	36	-

Target Conservation


Protein: Metabotropic glutamate receptor 5 Description: Metabotropic glutamate receptor 5 Organism : Homo sapiens P41594 ENSG00000168959

Cross References

Resources	Reference
ChEMBL	CHEMBL3301626
DrugBank	DB11833
FDA SRS	3110E3AO8S
Guide to Pharmacology	9309
SureChEMBL	SCHEMBL560590
ZINC	ZINC000006716839

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