MK-4815   Click here for help

GtoPdb Ligand ID: 10410

Synonyms: MK4815
Antimalarial Ligand
Compound class: Synthetic organic
Comment: MK-4815 is a small molecule with promising antimalarial activity [2].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 46.25
Molecular weight 235.19
XLogP 4.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCc1c(O)cc(cc1C(C)(C)C)C(C)(C)C
Isomeric SMILES NCc1c(O)cc(cc1C(C)(C)C)C(C)(C)C
InChI InChI=1S/C15H25NO/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-8,17H,9,16H2,1-6H3
InChI Key ZUSLEOOZAITYGH-UHFFFAOYSA-N
Bioactivity Comments
The interaction table below provides data from an evaluation of the antimalarial (asexual blood stage) activity of MK-4815, using a panel of P. falciparum strains, with the drug exhibiting efficacy against drug resistant strains. Further in vitro experiments indicate that MK-4815 accumulates in erythrocytes infected with the later developmental forms of the asexual blood stage parasite and that it is also most effective against these forms [2]. In addition, the compound demonstrated good oral activity when tested in a P. berghei mouse model of acute malaria [2].
Whole organism assay data
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MOA/likely target Sp. Assay description Type Action Value Parameter Concentration range (M) Reference
Unknown MOA PfK1 Parasite growth inhibition assay - - 8.4 pIC50 - 2
pIC50 8.4 (IC50 4x10-9 M) [3H]-hypoxanthine incorporation [2]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfV1/S Parasite growth inhibition assay - - 8.1 pIC50 - 2
pIC50 8.1 (IC50 7x10-9 M) [3H]-hypoxanthine incorporation [2]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfFCR3 Parasite growth inhibition assay - - 8.0 pIC50 - 2
pIC50 8.0 (IC50 1x10-8 M) [3H]-hypoxanthine incorporation [2]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA Pf3D7 Parasite growth inhibition assay - - 7.5 pIC50 - 2
pIC50 7.5 (IC50 3x10-8 M) [3H]-hypoxanthine incorporation [2]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfNF54 Parasite growth inhibition assay - - 7.4 pIC50 - 2
pIC50 7.4 (IC50 3.8x10-8 M) [3H]-hypoxanthine incorporation [2]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfDd2 Parasite growth inhibition assay - - 7.4 pIC50 - 2
pIC50 7.4 (IC50 4x10-8 M) [3H]-hypoxanthine incorporation [2]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)