Ligand id: 3494

Name: bosentan

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 154.03
Molecular weight 551.18
XLogP 5.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Used in the treatment of pulmonary arterial hypertension (PAH), believed to be caused by elevated endothelin levels. In September 2017, the FDA granted pediatric approval, allowing the use of bosentan treatment of PAH in patients ≥ 3 years of age.
Mechanism Of Action and Pharmacodynamic Effects
Bosentan blocks the binding of endothelin to its receptors (ETA and ETB) in endothelium and vascular smooth muscle, thereby negating endothelin's deleterious vasoconstrictive and hypertensive effects.