umeclidinium

Ligand id: 7354

Name: umeclidinium

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 29.46
Molecular weight 428.26
XLogP 8.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Feldman GJ, Edin A. (2013)
The combination of umeclidinium bromide and vilanterol in the management of chronic obstructive pulmonary disease: current evidence and future prospects.
Ther Adv Respir Dis7 (6): 311-9. [PMID:24004659]
2. LainĂ© DI, McCleland B, Thomas S, Neipp C, Underwood B, Dufour J, Widdowson KL, Palovich MR, Blaney FE, Foley JJ et al.. (2009)
Discovery of novel 1-azoniabicyclo[2.2.2]octane muscarinic acetylcholine receptor antagonists.
J. Med. Chem.52 (8): 2493-505. [PMID:19317446]
3. Salmon M, Luttmann MA, Foley JJ, Buckley PT, Schmidt DB, Burman M, Webb EF, DeHaas CJ, Kotzer CJ, Barrett VJ et al.. (2013)
Pharmacological characterization of GSK573719 (umeclidinium): a novel, long-acting, inhaled antagonist of the muscarinic cholinergic receptors for treatment of pulmonary diseases.
J. Pharmacol. Exp. Ther.345 (2): 260-70. [PMID:23435542]