A-794282

Ligand id: 6211

Name: A-794282

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 64.68
Molecular weight 350.12
XLogP 3.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Zheng GZ, Bhatia P, Daanen J, Kolasa T, Patel M, Latshaw S, El Kouhen OF, Chang R, Uchic ME, Miller L, Nakane M, Lehto SG, Honore MP, Moreland RB, Brioni JD, Stewart AO. (2005)
Structure-activity relationship of triazafluorenone derivatives as potent and selective mGluR1 antagonists.
J Med Chem48: 7374-7388. [PMID:16279797]
2. Zhu CZ, Baker S, EI-Kouhen O, Lehto SG, Hollingsworth PR, Gauvin DM, Hernandez G, Zheng G, Chang R, Moreland RB et al.. (2008)
Analgesic activity of metabotropic glutamate receptor 1 antagonists on spontaneous post-operative pain in rats.
Eur. J. Pharmacol.580 (3): 314-21. [PMID:18054908]