propranolol

Ligand id: 564

Name: propranolol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 41.49
Molecular weight 259.16
XLogP 4.05
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. Baker JG, Hall IP, Hill SJ. (2003)
Influence of agonist efficacy and receptor phosphorylation on antagonist affinity measurements: differences between second messenger and reporter gene responses.
Mol Pharmacol64: 679-688. [PMID:12920204]
3. Isogaya M, Sugimoto Y, Tanimura R, Tanaka R, Kikkawa H, Nagao T, Kurose H. (1999)
Binding pockets of the beta(1)- and beta(2)-adrenergic receptors for subtype-selective agonists.
Mol Pharmacol56: 875-885. [PMID:10531390]
4. 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]
5. Popp BD, Hutchinson DS, Evans BA, Summers RJ. (2004)
Stereoselectivity for interactions of agonists and antagonists at mouse, rat and human beta3-adrenoceptors.
Eur J Pharmacol.484: 323-331. [PMID:14744619]