Ligand id: 7377

Name: EPZ004777

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 12
Topological polar surface area 150.79
Molecular weight 539.32
XLogP 3.8
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Bernt KM, Zhu N, Sinha AU, Vempati S, Faber J, Krivtsov AV, Feng Z, Punt N, Daigle A, Bullinger L et al.. (2011)
MLL-rearranged leukemia is dependent on aberrant H3K79 methylation by DOT1L.
Cancer Cell, 20 (1): 66-78. [PMID:21741597]
2. Daigle SR, Olhava EJ, Therkelsen CA, Majer CR, Sneeringer CJ, Song J, Johnston LD, Scott MP, Smith JJ, Xiao Y et al.. (2011)
Selective killing of mixed lineage leukemia cells by a potent small-molecule DOT1L inhibitor.
Cancer Cell, 20 (1): 53-65. [PMID:21741596]
3. Muntean AG, Hess JL. (2012)
The pathogenesis of mixed-lineage leukemia.
Annu Rev Pathol, 7: 283-301. [PMID:22017583]