bethanechol

Ligand id: 297

Name: bethanechol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 52.32
Molecular weight 161.13
XLogP -0.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Jakubik J, Bacakova L, El-Fakahany EE, Tucek S. (1997)
Positive cooperativity of acetylcholine and other agonists with allosteric ligands on muscarinic receptors.
Mol. Pharmacol.52: 172-179. [PMID:9224827]
2. Mei L, Lai J, Roeske WR, Fraser CM, Venter JC, Yamamura HI. (1989)
Pharmacological characterization of the M1 muscarinic receptors expressed in murine fibroblast B82 cells.
J Pharmacol Exp Ther248: 661-670. [PMID:2537406]