compound 5 [PMID: 30894487]

Ligand id: 10398

Name: compound 5 [PMID: 30894487]

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 79.54
Molecular weight 355.1
XLogP 3.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. BaragaƱa B, Forte B, Choi R, Nakazawa Hewitt S, Bueren-Calabuig JA, Pisco JP, Peet C, Dranow DM, Robinson DA, Jansen C et al.. (2019)
Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 116 (14): 7015-7020. [PMID:30894487]
2. Hoepfner D, McNamara CW, Lim CS, Studer C, Riedl R, Aust T, McCormack SL, Plouffe DM, Meister S, Schuierer S et al.. (2012)
Selective and specific inhibition of the plasmodium falciparum lysyl-tRNA synthetase by the fungal secondary metabolite cladosporin.
Cell Host Microbe, 11 (6): 654-63. [PMID:22704625]