sulfadoxine   Click here for help

GtoPdb Ligand ID: 10173

Synonyms: sulphadoxine
Approved drug Antimalarial Ligand
sulfadoxine is an approved drug (FDA (1981) in combination with pyrimethamine)
Compound class: Synthetic organic
Comment: Sulfadoxine is a sulfonamide containing compound with antimalarial activity. It is used in the treatment of malaria as a combination therapy.

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 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
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Canonical SMILES COc1c(OC)ncnc1NS(=O)(=O)c1ccc(cc1)N
Isomeric SMILES COc1c(OC)ncnc1NS(=O)(=O)c1ccc(cc1)N
InChI InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
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Molecular structure representations generated using Open Babel