pyrimethamine

Ligand id: 4800

Name: pyrimethamine

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Structure and Physico-chemical Properties

2D Structure
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 2.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Auliff AM, Adams JH, O'Neil MT, Cheng Q. (2010)
Defining the role of mutations in Plasmodium vivax dihydrofolate reductase-thymidylate synthase gene using an episomal Plasmodium falciparum transfection system.
Antimicrob. Agents Chemother.54 (9): 3927-32. [PMID:20566761]
2. Ito S, Kusuhara H, Kuroiwa Y, Wu C, Moriyama Y, Inoue K, Kondo T, Yuasa H, Nakayama H, Horita S et al.. (2010)
Potent and specific inhibition of mMate1-mediated efflux of type I organic cations in the liver and kidney by pyrimethamine.
J. Pharmacol. Exp. Ther.333 (1): 341-50. [PMID:20065018]