basimglurant

Ligand id: 9309

Name: basimglurant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 30.71
Molecular weight 325.08
XLogP 5.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine
International Nonproprietary Names
INN number INN
9756 basimglurant
Synonyms
compound 2 [PMID: 25565255] | RG-7090 | RO-4917523 | Ro4917523
Database Links
BindingDB Ligand 50071374
CAS Registry No. 802906-73-6 (source: WHO INN record)
ChEMBL Ligand CHEMBL3301626
GtoPdb PubChem SID 318164828
PubChem CID 11438771
Search Google for chemical match using the InChIKey UPZWINBEAHDTLA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UPZWINBEAHDTLA
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Search UniChem for chemical match using the InChIKey UPZWINBEAHDTLA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UPZWINBEAHDTLA
Comments
Basimglurant (RO4917523) is a negative allosteric modulator (NAM) of the glutamate metabotropic receptor 5 (mGlu5) GPCR [1], and is a clinical candidate in development for the treatment of psychiatric diseases. Structurally, basimglurant and CTEP [2] are analogues. CTEP has a notably longer half-life in rodents (49 hours) than basimglurant (~10 hours), so is better suited for rodent studies requiring chronic exposure/treatment.