MMV024101

Ligand id: 10017

Name: MMV024101

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 135.89
Molecular weight 352.07
XLogP 0.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
MMV024101 inhibits P. falciparum strain 3D7 with an IC50 of 600 nM, and for strain NF54 the IC50 is 543 nM [1]. However, MMV024101 suffers from low aqueous solubility and an unfavourably high clearance rate by mouse liver microsomes.
Selectivity at other protein targets
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
Plasmodium falciparum phosphatidylinositol 4-kinase Pf3D7 None - 6.2 pIC50 - 1
pIC50 6.2 (IC50 6x10-7 M) [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
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
Plasmodium falciparum phosphatidylinositol 4-kinase PfNF54 - - 6.3 pIC50 - 1
pIC50 6.3 (IC50 5.43x10-7 M) [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)