Ligand id: 7906

Name: bafetinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 99.17
Molecular weight 576.26
XLogP 3.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Horio T, Hamasaki T, Inoue T, Wakayama T, Itou S, Naito H, Asaki T, Hayase H, Niwa T. (2007)
Structural factors contributing to the Abl/Lyn dual inhibitory activity of 3-substituted benzamide derivatives.
Bioorg. Med. Chem. Lett., 17 (10): 2712-7. [PMID:17376680]
2. Kantarjian H, le Coutre P, Cortes J, Pinilla-Ibarz J, Nagler A, Hochhaus A, Kimura S, Ottmann O. (2010)
Phase 1 study of INNO-406, a dual Abl/Lyn kinase inhibitor, in Philadelphia chromosome-positive leukemias after imatinib resistance or intolerance.
Cancer, 116 (11): 2665-72. [PMID:20310049]
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NS-187, a potent and selective dual Bcr-Abl/Lyn tyrosine kinase inhibitor, is a novel agent for imatinib-resistant leukemia.
Blood, 106 (12): 3948-54. [PMID:16105974]
4. Niwa T, Asaki T, Kimura S. (2007)
NS-187 (INNO-406), a Bcr-Abl/Lyn dual tyrosine kinase inhibitor.
Anal Chem Insights, 2: 93-106. [PMID:19662183]
5. Rix U, Remsing Rix LL, Terker AS, Fernbach NV, Hantschel O, Planyavsky M, Breitwieser FP, Herrmann H, Colinge J, Bennett KL et al.. (2010)
A comprehensive target selectivity survey of the BCR-ABL kinase inhibitor INNO-406 by kinase profiling and chemical proteomics in chronic myeloid leukemia cells.
Leukemia, 24 (1): 44-50. [PMID:19890374]
6. Santos FP, Kantarjian H, Cortes J, Quintas-Cardama A. (2010)
Bafetinib, a dual Bcr-Abl/Lyn tyrosine kinase inhibitor for the potential treatment of leukemia.
Curr Opin Investig Drugs, 11 (12): 1450-65. [PMID:21154127]