M5717

Ligand id: 9737

Name: M5717

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 57.7
Molecular weight 462.24
XLogP 3.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
The interaction table below provides data from whole cell assays and gives the antiparasite activitity of M5717 against a number of Plasmodium lifecycle stages. In addition, ex vivo testing of field-isolates from regions with known multidrug-resistance has shown potent asexual blood stage activity for both P. falciparum (median EC50 =0.81nM) and P. vivax (median EC50 =0.51nM) [1].
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 elongation factor 2 Pf3D7 Parasite growth inhibition assay - - 9.0 pEC50 - 1
pEC50 9.0 (EC50 1x10-9 M) [3H]-hypoxanthine incorporation assay [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Plasmodium falciparum elongation factor 2 PfNF54 Parasite gamete formation assay - - 8.7 – 8.9 pEC50 - 1
pEC50 8.9 (EC50 1.2x10-9 M) Female gamete formation [1]
Lifecycle stages: Plasmodium mosquito host stage (gametocyte, gamete, zygote, ookinete, oocyst, sporozoite)
pEC50 8.7 (EC50 1.8x10-9 M) Male gamete formation [1]
Lifecycle stages: Plasmodium mosquito host stage (gametocyte, gamete, zygote, ookinete, oocyst, sporozoite)
Plasmodium falciparum elongation factor 2 Pb Parasite liver stage assay - - 8.8 pEC50 - 1
pEC50 8.8 (EC50 1.65x10-9 M) P. berghei Luciferase liver stage assay [1]
Lifecycle stages: Plasmodium liver stage (sporozoite, hepatic schizont, hepatic merozoite)
Plasmodium falciparum elongation factor 2 PfNF54 Standard membrane feeding assay (SMFA) - - 8.0 – 8.7 pEC50 - 1
pEC50 8.7 (EC50 1.8x10-9 M) Indirect SMFA [1]
Lifecycle stages: Plasmodium mosquito host stage (gametocyte, gamete, zygote, ookinete, oocyst, sporozoite)
pEC50 8.0 (EC50 1x10-8 M) Direct SMFA [1]
Lifecycle stages: Plasmodium mosquito host stage (gametocyte, gamete, zygote, ookinete, oocyst, sporozoite)