bosutinib

Ligand id: 5710

Name: bosutinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 82.88
Molecular weight 529.16
XLogP 2.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
A large set of screening data for bosutinib is reported by Remsing et al (2009) [8]. This provides a range of kinases where bosutinib is active, in addition to its originally reported molecular kinase targets. Two of the newly identified target families are the TEC and STK20 kinase families and in addition, this is the first report of a compound able to inhibit kinase activity of calcium/calmodulin-dependent protein kinase II gamma subunit (CAMK2G). It is suggested by the authors that inhibition of this latter enzyme may be partially responsible for bosutinib's beneficial effect in chronic myeloid leukemia (CML). This data set was produced from cellular growth-inhibition assays in vitro and from biochemical kinase assays.
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
mitogen-activated protein kinase kinase kinase kinase 5 Inhibitor Inhibition 9.5 pIC50 - 8
pIC50 9.5 (IC50 3x10-10 M) [8]
TXK tyrosine kinase Inhibitor Inhibition 9.5 pIC50 - 8
pIC50 9.5 (IC50 3x10-10 M) [8]
ABL proto-oncogene 1, non-receptor tyrosine kinase Inhibitor Inhibition 9.0 pIC50 - 5
pIC50 9.0 (IC50 1x10-9 M) [5]
SRC proto-oncogene, non-receptor tyrosine kinase Inhibitor Inhibition 9.0 pIC50 - 2
pIC50 9.0 (IC50 1x10-9 M) [2]
FYN proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition 8.7 pIC50 - 8
pIC50 8.7 (IC50 1.8x10-9 M) [8]
fyn related Src family tyrosine kinase Inhibitor Inhibition 8.7 pIC50 - 8
pIC50 8.7 (IC50 2.2x10-9 M) [8]
tyrosine kinase non receptor 2 Inhibitor Inhibition 8.6 pIC50 - 8
pIC50 8.6 (IC50 2.7x10-9 M) [8]
salt inducible kinase 1 Inhibitor Inhibition >8.5 pIC50 - 6
pIC50 >8.5 (IC50 <3x10-9 M) [6]
salt inducible kinase 2 Inhibitor Inhibition >8.5 pIC50 - 6
pIC50 >8.5 (IC50 <3x10-9 M) [6]
serine/threonine kinase 24 Inhibitor Inhibition 8.4 pIC50 - 8
pIC50 8.4 (IC50 3.9x10-9 M) [8]
LYN proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition 8.1 pIC50 - 8
pIC50 8.1 (IC50 8x10-9 M) [8]
SIK family kinase 3 Inhibitor Inhibition 7.7 pIC50 - 6
pIC50 7.7 (IC50 1.8x10-8 M) [6]
serine/threonine kinase 10 Inhibitor - 7.3 pIC50 - 8
pIC50 7.3 (IC50 5.2x10-8 M) [8]
calcium/calmodulin dependent protein kinase ID Inhibitor Inhibition 7.0 pIC50 - 8
pIC50 7.0 (IC50 9.2x10-8 M) [8]
calcium/calmodulin-dependent protein kinase II gamma subunit Inhibitor Inhibition 6.7 pIC50 - 8
pIC50 6.7 (IC50 1.84x10-7 M) [8]
serine/threonine kinase 4 Inhibitor Inhibition 6.7 pIC50 - 8
pIC50 6.7 (IC50 1.91x10-7 M) [8]