halofuginone

Ligand id: 10153

Name: halofuginone

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 4
Topological polar surface area 84.22
Molecular weight 413.01
XLogP 2.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Herman JD, Pepper LR, Cortese JF, Estiu G, Galinsky K, Zuzarte-Luis V, Derbyshire ER, Ribacke U, Lukens AK, Santos SA et al.. (2015)
The cytoplasmic prolyl-tRNA synthetase of the malaria parasite is a dual-stage target of febrifugine and its analogs.
Sci Transl Med, 7 (288): 288ra77. [PMID:25995223]
2. Keller TL, Zocco D, Sundrud MS, Hendrick M, Edenius M, Yum J, Kim YJ, Lee HK, Cortese JF, Wirth DF et al.. (2012)
Halofuginone and other febrifugine derivatives inhibit prolyl-tRNA synthetase.
Nat. Chem. Biol., 8 (3): 311-7. [PMID:22327401]