Ligand id: 7168

Name: disulfiram

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 121.26
Molecular weight 296.05
XLogP 3.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Used as a form of aversion therapy to treat chronic alcoholism, in co-operative patients, and combined with appropriate supportive care.
Mechanism Of Action and Pharmacodynamic Effects
Disulfiram inhibits the mitochondrial form of aldehyde dehydrogenase (ALDH2). Members of this small enzyme subfamily are normally involved in alcohol metabolism, principally the oxidation of acetaldehyde to acetate. When ALDH2 is inhibited acetaldehyde levels rise and this is responsible for inducing flushing, nausea, vomiting, tachycardia, and hypotension. These unpleasant side effects are intended to act as a deterent to alcohol consumption.
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