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

References
1. Jaeschke G, Kolczewski S, Spooren W, Vieira E, Bitter-Stoll N, Boissin P, Borroni E, B├╝ttelmann B, Ceccarelli S, Clemann N et al.. (2015)
Metabotropic glutamate receptor 5 negative allosteric modulators: discovery of 2-chloro-4-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-ylethynyl]pyridine (basimglurant, RO4917523), a promising novel medicine for psychiatric diseases.
J. Med. Chem.58 (3): 1358-71. [PMID:25565255]
2. Lindemann L, Jaeschke G, Michalon A, Vieira E, Honer M, Spooren W, Porter R, Hartung T, Kolczewski S, B├╝ttelmann B et al.. (2011)
CTEP: a novel, potent, long-acting, and orally bioavailable metabotropic glutamate receptor 5 inhibitor.
J. Pharmacol. Exp. Ther.339 (2): 474-86. [PMID:21849627]