KW-2449

Ligand id: 5691

Name: KW-2449

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 61.02
Molecular weight 332.16
XLogP 3.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
ABL proto-oncogene 1, non-receptor tyrosine kinase Hs Inhibitor Inhibition 7.8 pIC50 - 2
pIC50 7.8 (IC50 1.4x10-8 M) [2]
aurora kinase A Hs Inhibitor Inhibition 7.3 pIC50 - 2
pIC50 7.3 (IC50 4.8x10-8 M) [2]
aurora kinase B Hs Inhibitor Inhibition 7.3 pIC50 - 2
pIC50 7.3 (IC50 4.8x10-8 M) [2]
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
fms related receptor tyrosine kinase 3 Hs Inhibitor Inhibition 7.8 pKd - 1
pKd 7.8 (Kd 1.5x10-8 M) [1]
fms related receptor tyrosine kinase 3 Hs Inhibitor Inhibition 8.2 pIC50 - 2
pIC50 8.2 (IC50 6.6x10-9 M) [2]