Ligand id: 413

Name: theophylline

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 69.3
Molecular weight 180.06
XLogP -0.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Used in the treatment of symptoms and reversible airways obstruction in conditions such as asthma, emphysema and chronic bronchitis.
Mechanism Of Action and Pharmacodynamic Effects
Theophylline is a non-selective phosphodiesterase inhibitor and a non-selective adenosine receptor antagonist. Inhibition of phosphodiesterase and adenosine receptor activities in airway epithelium results in relaxation of the smooth muscle of bronchial airways and pulmonary blood vessels and reduces airway reponsiveness to allergens, histamine, methacholine and adenosine.
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