Ligand id: 10019

Name: halofantrine

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 23.47
Molecular weight 499.17
XLogP 8.93
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Guide to Malaria Pharmacology Comments
Halofantrine was developed by the Walter Reed Army Institute of Research and was a key compound identified during a antimalarial drug discovery programme that ran from 1963 until 1976 [2]. The licensed drug was used in the treatment of both P. falciparum and P. vivax malaria but this has declined significantly due to potentially lethal cardiotoxic side effects and variable pharmacokinetic properties. It is not recommended for prophylactic use.

Potential Target/Mechanism Of Action: As the precise mechanism of action of halofantrine is not yet known, we do not have a molecular target for this compound. There is some evidence that suggests that halofantrine inhibits the haem detoxification pathway in the parasite, and that this action causes lethal haem toxicity [1,3].