dronedarone

Ligand id: 7465

Name: dronedarone

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 18
Topological polar surface area 97.23
Molecular weight 556.3
XLogP 7.46
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Bogdan R, Goegelein H, Ruetten H. (2011)
Effect of dronedarone on Na+, Ca2+ and HCN channels.
Naunyn Schmiedebergs Arch. Pharmacol.383 (4): 347-56. [PMID:21279331]
2. Guo X, Ma X, Yang Q, Xu J, Huang L, Jia J, Shan J, Liu L, Chen W, Chu H et al.. (2014)
Discovery of 1-aryloxyethyl piperazine derivatives as Kv1.5 potassium channel inhibitors (part I).
Eur J Med Chem81: 89-94. [PMID:24824064]
3. Gómez R, Caballero R, Barana A, Amorós I, De Palm SH, Matamoros M, Núñez M, Pérez-Hernández M, Iriepa I, Tamargo J et al.. (2014)
Structural basis of drugs that increase cardiac inward rectifier Kir2.1 currents.
Cardiovasc. Res.104 (2): 337-46. [PMID:25205296]
4. Sobrado LF, Varone BB, Machado AD, Nearing BD, Zeng D, Belardinelli L, Verrier RL. (2013)
Dronedarone's inhibition of If current is the primary mechanism responsible for its bradycardic effect.
J. Cardiovasc. Electrophysiol.24 (8): 914-8. [PMID:23647933]
5. Verrier RL, Sobrado MF, Pagotto VP, Kanas AF, Machado AD, Varone BB, Sobrado LF, Nearing BD, Zeng D, Belardinelli L. (2013)
Inhibition of I(f) in the atrioventricular node as a mechanism for dronedarone's reduction in ventricular rate during atrial fibrillation.
Heart Rhythm10 (11): 1692-7. [PMID:23933296]
6. Xynogalos P, Seyler C, Scherer D, Koepple C, Scholz EP, Thomas D, Katus HA, Zitron E. (2014)
Class III antiarrhythmic drug dronedarone inhibits cardiac inwardly rectifying Kir2.1 channels through binding at residue E224.
Naunyn Schmiedebergs Arch. Pharmacol.387 (12): 1153-61. [PMID:25182566]