aclidinium

Ligand id: 7449

Name: aclidinium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 112.24
Molecular weight 484.16
XLogP 5.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Jansat JM, Lamarca R, Garcia Gil E, Ferrer P. (2009)
Safety and pharmacokinetics of single doses of aclidinium bromide, a novel long-acting, inhaled antimuscarinic, in healthy subjects.
Int J Clin Pharmacol Ther47 (7): 460-8. [PMID:19640353]
2. Prat M, Fernández D, Buil MA, Crespo MI, Casals G, Ferrer M, Tort L, Castro J, Monleón JM, Gavaldà A et al.. (2009)
Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinol esters as potent and long-acting muscarinic antagonists with potential for minimal systemic exposure after inhaled administration: identification of (3R)-3-{[hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide (aclidinium bromide).
J. Med. Chem.52 (16): 5076-92. [PMID:19653626]