CGP 55845

Ligand id: 1088

Name: CGP 55845

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 79.37
Molecular weight 401.07
XLogP 4.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bowery NG, Bettler B, Froestl W, Gallagher JP, Marshall F, Raiteri M, Bonner TI, Enna SJ. (2002)
International Union of Pharmacology. XXXIII. Mammalian gamma-aminobutyricacid(B) receptors: structure and function.
Pharmacol Rev.54: 247-264. [PMID:12037141]
2. Wood MD, Murkitt KL, Rice SQ, Testa T, Punia PK, Stammers M, Jenkins O, Elshourbagy NA, Shabon U, Taylor SJ, Gager TL, Minton J, Hirst WD, Price GW, Pangalos M. (2000)
The human GABA(B1b) and GABA(B2) heterodimeric recombinant receptor shows low sensitivity to phaclofen and saclofen.
Br J Pharmacol131: 1050-1054. [PMID:11082110]