RASEGLURANT


Synonyms	ADX-10059 ADX10059 Adx-10059 Adx10059 Raseglurant
Status
Molecule Category	UNKNOWN
UNII	66UCJ8Z8L1
EPA CompTox	DTXSID40226707


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	MEDCLNYIYBERKO-UHFFFAOYSA-N
Smiles	Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1
InChI	InChI=1S/C15H13FN2/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12/h3-5,8-9H,17H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C15H13FN2
Molecular Weight	240.28
AlogP	2.82
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	0.0
Polar Surface Area	38.91
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	18.0

Bioactivity

Mechanism of Action	Action	Reference
Metabotropic glutamate receptor 5 modulator	MODULATOR	PMC PubMed Wikipedia


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

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	-	17	-	-	-

Assay Description	Organism	Bioactivity	Reference
Negative allosteric modulation of mGlu5 receptor (unknown origin)	Homo sapiens	17.0 nM

Cross References

Resources	Reference
ChEMBL	CHEMBL3545036
FDA SRS	66UCJ8Z8L1
PubChem	10331863
SureChEMBL	SCHEMBL3874524
ZINC	ZINC000003821213

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).