halofantrine

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

Bioactivity Comments
Halofantrine blocks the hERG potassium channel (Kv11.1) so is associated with a cardiotoxicity risk (QT prolongation) [6-7].
The interaction table below includes data from an evaluation of asexual blood stage activity using a panel of culture-adapted P. falciparum strains, with no evidence of reduced potency against drug resistant strains.
Selectivity at ion channels
Key to terms and symbols Click on species/strain names for details Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Kv11.1 Hs Channel blocker Inhibition 7.4 pIC50 - 5
pIC50 7.4 (IC50 4x10-8 M) [5]
Whole organism assay data
Key to terms and symbols Click on species/strain names for details Click column headers to sort
MOA/likely target Sp. Assay description Type Action Value Parameter Concentration range (M) Reference
Unknown MOA PfK1 Parasite growth inhibition assay - - 9.7 pIC50 - 4
pIC50 9.7 (IC50 2x10-10 M) [3H]-hypoxanthine incorporation [4]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA Pf7G8 Parasite growth inhibition assay - - 9.7 pIC50 - 4
pIC50 9.7 (IC50 2x10-10 M) [3H]-hypoxanthine incorporation [4]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfV1/S Parasite growth inhibition assay - - 9.5 pIC50 - 4
pIC50 9.5 (IC50 3x10-10 M) [3H]-hypoxanthine incorporation [4]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfW2 Parasite growth inhibition assay - - 9.5 pIC50 - 4
pIC50 9.5 (IC50 3x10-10 M) [3H]-hypoxanthine incorporation [4]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfD6 Parasite growth inhibition assay - - 9.1 pIC50 - 4
pIC50 9.1 (IC50 7x10-10 M) [3H]-hypoxanthine incorporation [4]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfNF54 Parasite growth inhibition assay - - 9.1 pIC50 - 4
pIC50 9.1 (IC50 9x10-10 M) [3H]-hypoxanthine incorporation [4]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfTM90C2A Parasite growth inhibition assay - - 9.0 pIC50 - 4
pIC50 9.0 (IC50 1.1x10-9 M) [3H]-hypoxanthine incorporation [4]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)