volasertib

Ligand id: 7947

Name: volasertib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 106.17
Molecular weight 618.4
XLogP 4.2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Barr FA, Silljé HH, Nigg EA. (2004)
Polo-like kinases and the orchestration of cell division.
Nat. Rev. Mol. Cell Biol., 5 (6): 429-40. [PMID:15173822]
2. Santamaria A, Neef R, Eberspächer U, Eis K, Husemann M, Mumberg D, Prechtl S, Schulze V, Siemeister G, Wortmann L et al.. (2007)
Use of the novel Plk1 inhibitor ZK-thiazolidinone to elucidate functions of Plk1 in early and late stages of mitosis.
Mol. Biol. Cell, 18 (10): 4024-36. [PMID:17671160]
3. Schöffski P. (2009)
Polo-like kinase (PLK) inhibitors in preclinical and early clinical development in oncology.
Oncologist, 14 (6): 559-70. [PMID:19474163]
4. Zhang Q, Xia Z, Mitten MJ, Lasko LM, Klinghofer V, Bouska J, Johnson EF, Penning TD, Luo Y, Giranda VL et al.. (2012)
Hit to Lead optimization of a novel class of squarate-containing polo-like kinases inhibitors.
Bioorg. Med. Chem. Lett., 22 (24): 7615-22. [PMID:23103095]