(+)-SJ733

Ligand id: 9723

Name: (+)-SJ733

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 86.09
Molecular weight 468.12
XLogP 3.8
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
The interaction table below provides 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. No significant change was observed in the potency (ED50) of (+)-SJ733 against different developmental forms of the asexual blood stage parasite. In addition, the compound demonstrates excellent efficacy in the SCID mouse model of P. falciparum malaria (ED90 of 1.9 mg/kg) and potent and efficacious transmission-blocking activity in a P. berghei mouse model (ED50 of 5 mg/kg) [1].
Whole organism assay data
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MOA/likely target Sp. Assay description Type Action Value Parameter Concentration range (M) Reference
Plasmodium falciparum ATPase4 PfDd2 Parasite growth inhibition assay - - 7.7 pEC50 - 1
pEC50 7.7 (EC50 2x10-8 M) SYBR Green I assay [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Plasmodium falciparum ATPase4 Pf3D7 Parasite growth inhibition assay - - 7.5 pEC50 - 1
pEC50 7.5 (EC50 3x10-8 M) SYBR Green I assay [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Plasmodium falciparum ATPase4 PfK1 Parasite growth inhibition assay - - 7.4 pEC50 - 1
pEC50 7.4 (EC50 4x10-8 M) SYBR Green I assay [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Plasmodium falciparum ATPase4 PfV1/S Parasite growth inhibition assay - - 7.2 pEC50 - 1
pEC50 7.2 (EC50 6x10-8 M) SYBR Green I assay [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)