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

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
In vitro, of 13 of most frequent imatinib-resistant Bcr-Abl point mutations, bafetinib inhibits all but one, Thr315Ile, and in preclinical studies it proved to be ≥10-fold more potent than imatinib in vivo [6]
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
LYN proto-oncogene, Src family tyrosine kinase Hs Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 1.1x10-8 M) [1]
ABL proto-oncogene 1, non-receptor tyrosine kinase Hs Inhibitor Inhibition 7.6 – 8.2 pIC50 - 1,3
pIC50 7.6 – 8.2 (IC50 2.6x10-8 – 5.8x10-9 M) [1,3]