dasatinib

Ligand id: 5678

Name: dasatinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 134.75
Molecular weight 487.16
XLogP 2.22
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
Src is a secondary target of this inhibitor [5].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
ABL proto-oncogene 1, non-receptor tyrosine kinase Inhibitor Inhibition 9.6 pIC50 - 4
pIC50 9.6 (IC50 2.7x10-10 M) [4]
SRC proto-oncogene, non-receptor tyrosine kinase Inhibitor Inhibition 9.1 pIC50 - 5
pIC50 9.1 (IC50 8x10-10 M) [5]
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]
SIK family kinase 3 Inhibitor Inhibition 8.0 pIC50 - 6
pIC50 8.0 (IC50 1x10-8 M) [6]