3,3'-difluorobenzaldazine

Ligand id: 1424

Name: 3,3'-difluorobenzaldazine

Abbreviated name: DFB

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 24.72
Molecular weight 244.08
XLogP 6.11
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. O'Brien JA, Lemaire W, Chen TB, Chang RS, Jacobson MA, Ha SN, Lindsley CW, Schaffhauser HJ, Sur C, Pettibone DJ, Conn PJ, Williams DL Jr. (2003)
A family of highly selective allosteric modulators of the metabotropic glutamate receptor subtype 5.
Mol Pharmacol.64: 731-740. [PMID:12920211]
2. O'Brien JA, Lemaire W, Wittmann M, Jacobson MA, Ha SN, Wisnoski DD, Lindsley CW, Schaffhauser HJ, Rowe B, Sur C, Duggan ME, Pettibone DJ, Conn PJ, Williams DL Jr. (2004)
A novel selective allosteric modulator potentiates the activity of native metabotropic glutamate receptor subtype 5 in rat forebrain.
J Pharmacol Exp Ther.309: 568-577. [PMID:14747613]