Ligand id: 10247

Name: cladosporin

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 75.99
Molecular weight 292.13
XLogP 2.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. 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]
2. Rusch M, Thevenon A, Hoepfner D, Aust T, Studer C, Patoor M, Rollin P, Livendahl M, Ranieri B, Schmitt E et al.. (2019)
Design and Synthesis of Metabolically Stable tRNA Synthetase Inhibitors Derived from Cladosporin.
Chembiochem, 20 (5): 644-649. [PMID:30462880]