Ligand id: 7445

Name: mirabegron

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View more information in the IUPHAR Pharmacology Education Project: mirabegron

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

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.
Urology, 69 (4): 785-90. [PMID:17445682]
2. Dehvari N, da Silva Junior ED, Bengtsson T, Hutchinson DS. (2017)
Mirabegron: potential off target effects and uses beyond the bladder.
Br. J. Pharmacol., [Epub ahead of print]. [PMID:29243229]
3. 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]
4. 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]
5. Yamaguchi O. (2002)
Beta3-adrenoceptors in human detrusor muscle.
Urology, 59 (5 Suppl 1): 25-9. [PMID:12007519]