CTEP   Click here for help

GtoPdb Ligand ID: 6409

Synonyms: compound 3 [PMID: 25565255]
Compound class: Synthetic organic
Comment: CTEP is a negative allosteric modulator (NAM) of the glutamate metabotropic receptor 5 (mGlu5) GPCR [1-2]. Structurally, CTEP and basimglurant and are analogues. CTEP has a notably longer half-life in rodents (49 hours) than basimglurant (~10 hours), so is better suited for rodents studies requiring chronic exposure/treatment.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 39.42
Molecular weight 391.07
XLogP 5.85
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C
Isomeric SMILES Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C
InChI InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 3 [PMID: 25565255]
Database Links Click here for help
Specialist databases
GPCRdb Ligand CTEP
Other databases
GtoPdb PubChem SID 178103025
PubChem CID 11646823
Search Google for chemical match using the InChIKey GOHCTCOGYKAJLZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GOHCTCOGYKAJLZ
UniChem Compound Search for chemical match using the InChIKey GOHCTCOGYKAJLZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GOHCTCOGYKAJLZ-UHFFFAOYSA-N
Wikipedia CTEP