Ligand id: 7332

Name: barasertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 16
Topological polar surface area 184.63
Molecular weight 587.21
XLogP 2.78
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Andrews PD. (2005)
Aurora kinases: shining lights on the therapeutic horizon?.
Oncogene, 24 (32): 5005-15. [PMID:16049526]
2. Carvajal RD, Tse A, Schwartz GK. (2006)
Aurora kinases: new targets for cancer therapy.
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3. Keen N, Taylor S. (2004)
Aurora-kinase inhibitors as anticancer agents.
Nat. Rev. Cancer, 4 (12): 927-36. [PMID:15573114]
4. Keen N, Taylor S. (2009)
Mitotic drivers--inhibitors of the Aurora B Kinase.
Cancer Metastasis Rev., 28 (1-2): 185-95. [PMID:19189202]
5. Schwartz GK, Carvajal RD, Midgley R, Rodig SJ, Stockman PK, Ataman O, Wilson D, Das S, Shapiro GI. (2013)
Phase I study of barasertib (AZD1152), a selective inhibitor of Aurora B kinase, in patients with advanced solid tumors.
Invest New Drugs, 31 (2): 370-80. [PMID:22661287]
6. Yang J, Ikezoe T, Nishioka C, Tasaka T, Taniguchi A, Kuwayama Y, Komatsu N, Bandobashi K, Togitani K, Koeffler HP et al.. (2007)
AZD1152, a novel and selective aurora B kinase inhibitor, induces growth arrest, apoptosis, and sensitization for tubulin depolymerizing agent or topoisomerase II inhibitor in human acute leukemia cells in vitro and in vivo.
Blood, 110 (6): 2034-40. [PMID:17495131]