atenolol

Ligand id: 548

Name: atenolol

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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 84.58
Molecular weight 266.16
XLogP 0.68
No. Lipinski's rules broken 0

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. Joseph SS, Lynham JA, Colledge WH, Kaumann AJ. (2004)
Binding of (-)-[3H]-CGP12177 at two sites in recombinant human beta 1-adrenoceptors and interaction with beta-blockers.
Naunyn Schmiedebergs Arch Pharmacol369: 525-532. [PMID:15060759]
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]