pyrimethamine

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

References
1. Delves M, Plouffe D, Scheurer C, Meister S, Wittlin S, Winzeler EA, Sinden RE, Leroy D. (2012)
The activities of current antimalarial drugs on the life cycle stages of Plasmodium: a comparative study with human and rodent parasites.
PLoS Med., 9 (2): e1001169. [PMID:22363211]
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]
3. Nobel Media AB 2019. 
Press release. The Nobel Prize in Physiology or Medicine 1988.
Accessed on 16/07/2019. Modified on 16/07/2019. NobelPrize.org, https://www.nobelprize.org/prizes/medicine/1988/press-release/
4. Sirawaraporn W, Sathitkul T, Sirawaraporn R, Yuthavong Y, Santi DV. (1997)
Antifolate-resistant mutants of Plasmodium falciparum dihydrofolate reductase.
Proc. Natl. Acad. Sci. U.S.A., 94 (4): 1124-9. [PMID:9037017]
5. Yuthavong Y, Tarnchompoo B, Vilaivan T, Chitnumsub P, Kamchonwongpaisan S, Charman SA, McLennan DN, White KL, Vivas L, Bongard E et al.. (2012)
Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target.
Proc. Natl. Acad. Sci. U.S.A., 109 (42): 16823-8. [PMID:23035243]
6. (2015)
Treatment of uncomplicated Plasmodium falciparum malaria.  In  Guidelines for the Treatment of Malaria. Third edition. (World Health Organization) . [PMID:26020088] [ISBN:9789241549127]