sulfadoxine

Ligand id: 10173

Name: sulfadoxine

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 124.81
Molecular weight 310.07
XLogP 0.62
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

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 hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase PfHB3 Parasite growth inhibition assay - - 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [3H]-hypoxanthine incorporation [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase Pf3D7 Parasite growth inhibition assay - - 7.1 pIC50 - 1
pIC50 7.1 (IC50 7.3x10-8 M) [3H]-hypoxanthine incorporation [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase PfK1 Parasite growth inhibition assay - - 6.7 pIC50 - 1
pIC50 6.7 (IC50 2.23x10-7 M) [3H]-hypoxanthine incorporation [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase PfDd2 Parasite growth inhibition assay - - 5.4 pIC50 - 1
pIC50 5.4 (IC50 3.97x10-6 M) [3H]-hypoxanthine incorporation [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)