CGP 20712A

Ligand id: 541

Name: CGP 20712A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 131.86
Molecular weight 494.18
XLogP 3.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Baker JG. (2005)
The selectivity of beta-adrenoceptor antagonists at the human beta1, beta2 and beta3 adrenoceptors.
Br J Pharmacol144: 317-322. [PMID:15655528]
2. Candelore MR, Deng L, Tota L, Guan XM, Amend A, Liu Y, Newbold R, Cascieri MA, Weber AE. (1999)
Potent and selective human beta(3)-adrenergic receptor antagonists.
J Pharmacol Exp Ther290: 649-655. [PMID:10411574]
3. Louis SN, Nero TL, Iakovidis D, Jackman GP, Louis WJ. (1999)
LK 204-545, a highly selective beta1-adrenoceptor antagonist at human beta-adrenoceptors.
Eur J Pharmacol367: 431-435. [PMID:10079020]
4. Mejean A, Guillaume JL, Strosberg AD. (1995)
Carazolol: a potent, selective beta 3-adrenoceptor agonist.
Eur J Pharmacol.291: 359-366. [PMID:8719421]