Ligand id: 1422


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 70.19
Molecular weight 364.13
XLogP 5.21
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Kinney GG, O'Brien JA, Lemaire W, Burno M, Bickel DJ, Clements MK, Chen TB, Wisnoski DD, Lindsley CW, Tiller PR et al.. (2005)
A novel selective positive allosteric modulator of metabotropic glutamate receptor subtype 5 has in vivo activity and antipsychotic-like effects in rat behavioral models.
J. Pharmacol. Exp. Ther., 313 (1): 199-206. [PMID:15608073]
2. Lindsley CW, Wisnoski DD, Leister WH, O'brien JA, Lemaire W, Williams Jr DL, Burno M, Sur C, Kinney GG, Pettibone DJ et al.. (2004)
Discovery of positive allosteric modulators for the metabotropic glutamate receptor subtype 5 from a series of N-(1,3-diphenyl-1H- pyrazol-5-yl)benzamides that potentiate receptor function in vivo.
J. Med. Chem., 47 (24): 5825-8. [PMID:15537338]