MMV024101   Click here for help

GtoPdb Ligand ID: 10017

Synonyms: compound 8 [PMID: 29889526]
Antimalarial Ligand
Compound class: Synthetic organic
Comment: MMV024101 is one of the compounds with antimalarial activity from the Medicines for Malaria Venture (MMV) Pathogen Box.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
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2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES NS(=O)(=O)c1cncc(c1)c1ccc2c(n1)c(ccn2)c1c[nH]nc1
Isomeric SMILES NS(=O)(=O)c1cncc(c1)c1ccc2c(n1)c(ccn2)c1c[nH]nc1
InChI InChI=1S/C16H12N6O2S/c17-25(23,24)12-5-10(6-18-9-12)14-1-2-15-16(22-14)13(3-4-19-15)11-7-20-21-8-11/h1-9H,(H,20,21)(H2,17,23,24)
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.
Whole organism assay data
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MOA/likely target Sp. Assay description Type Action Value Parameter Concentration range (M) Reference
Plasmodium falciparum phosphatidylinositol 4-kinase beta PfNF54 Parasite growth inhibition assay - - 6.3 pIC50 - 1
pIC50 6.3 (IC50 5.43x10-7 M) Parasite lactate dehydrogenase (pLDH ) assay [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)