oxybutynin

Ligand id: 359

Name: oxybutynin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 49.77
Molecular weight 357.23
XLogP 5.37
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Del Bello F, Barocelli E, Bertoni S, Bonifazi A, Camalli M, Campi G, Giannella M, Matucci R, Nesi M, Pigini M et al.. (2012)
1,4-dioxane, a suitable scaffold for the development of novel M₃ muscarinic receptor antagonists.
J. Med. Chem.55 (4): 1783-7. [PMID:22243489]
2. Ikeda K, Kobayashi S, Suzuki M, Miyata K, Takeuchi M, Yamada T, Honda K. (2002)
M(3) receptor antagonism by the novel antimuscarinic agent solifenacin in the urinary bladder and salivary gland.
Naunyn Schmiedebergs Arch. Pharmacol.366 (2): 97-103. [PMID:12122494]
3. Naito R, Yonetoku Y, Okamoto Y, Toyoshima A, Ikeda K, Takeuchi M. (2005)
Synthesis and antimuscarinic properties of quinuclidin-3-yl 1,2,3,4-tetrahydroisoquinoline-2-carboxylate derivatives as novel muscarinic receptor antagonists.
J. Med. Chem.48 (21): 6597-606. [PMID:16220976]
4. Sinha S, Gupta S, Malhotra S, Krishna NS, Meru AV, Babu V, Bansal V, Garg M, Kumar N, Chugh A et al.. (2010)
AE9C90CB: a novel, bladder-selective muscarinic receptor antagonist for the treatment of overactive bladder.
Br. J. Pharmacol.160 (5): 1119-27. [PMID:20590605]