Ligand id: 4800

Name: pyrimethamine

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 77.82
Molecular weight 248.08
XLogP 2.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Guide to Malaria Pharmacology Comments
Pyrimethamine was developed at the beginning of the 1950s and was part of the work that led to the 1988 Nobel Prize in Physiology or Medicine being awarded to Gertrude Elion and George Hitchings for their discoveries of "important principles for drug treatment" [3]. Resistance to the antifolate class of antimalarial drugs, including pyrimethamine, emerged soon after their clinical introduction and arisies from mutations in PfDHFR-TS [4].

Potential Target/Mechanism Of Action: Pyrimethamine inhibits Plasmodium dihydrofolate reductase-thymidylate synthase (DHFR-TS).