mirabegron

Ligand id: 7445

Name: mirabegron

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 128.51
Molecular weight 396.16
XLogP 3.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Badawi JK, Seja T, Uecelehan H, Honeck P, Kwon ST, Bross S, Langbein S. (2007)
Relaxation of human detrusor muscle by selective beta-2 and beta-3 agonists and endogenous catecholamines.
Urology69 (4): 785-90. [PMID:17445682]
2. Nomiya M, Yamaguchi O. (2003)
A quantitative analysis of mRNA expression of alpha 1 and beta-adrenoceptor subtypes and their functional roles in human normal and obstructed bladders.
J. Urol.170 (2 Pt 1): 649-53. [PMID:12853849]
3. Takasu T, Ukai M, Sato S, Matsui T, Nagase I, Maruyama T, Sasamata M, Miyata K, Uchida H, Yamaguchi O. (2007)
Effect of (R)-2-(2-aminothiazol-4-yl)-4'-{2-[(2-hydroxy-2-phenylethyl)amino]ethyl} acetanilide (YM178), a novel selective beta3-adrenoceptor agonist, on bladder function.
J. Pharmacol. Exp. Ther.321 (2): 642-7. [PMID:17293563]
4. Yamaguchi O. (2002)
Beta3-adrenoceptors in human detrusor muscle.
Urology59 (5 Suppl 1): 25-9. [PMID:12007519]