darifenacin

Ligand id: 321

Name: darifenacin

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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 7
Topological polar surface area 55.56
Molecular weight 426.23
XLogP 7.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Gillberg PG, Sundquist S, Nilvebrant L. (1998)
Comparison of the in vitro and in vivo profiles of tolterodine with those of subtype-selective muscarinic receptor antagonists.
Eur. J. Pharmacol.349 (2-3): 285-92. [PMID:9671109]
2. Hegde SS, Choppin A, Bonhaus D, Briaud S, Loeb M, Moy TM, Loury D, Eglen RM. (1997)
Functional role of M2 and M3 muscarinic receptors in the urinary bladder of rats in vitro and in vivo.
Br. J. Pharmacol.120 (8): 1409-18. [PMID:9113359]
3. Hirose H, Aoki I, Kimura T, Fujikawa T, Numazawa T, Sasaki K, Sato A, Hasegawa T, Nishikibe M, Mitsuya M, Ohtake N, Mase T, Noguchi K. (2001)
Pharmacological properties of (2R)-N-[1-(6-aminopyridin-2-ylmethyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide: a novel mucarinic antagonist with M(2)-sparing antagonistic activity.
J Pharmacol Exp Ther297: 790-797. [PMID:11303071]
4. 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]
5. Nelson CP, Nahorski SR, Challiss RA. (2006)
Constitutive activity and inverse agonism at the M2 muscarinic acetylcholine receptor.
J Pharmacol Exp Ther316: 279-288. [PMID:16188951]
6. 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]