compound 7 [PMID: 22464456]

Ligand id: 8172

Name: compound 7 [PMID: 22464456]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 92.94
Molecular weight 375.12
XLogP 4.71
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
Reported off-targets include LCK proto-oncogene kinase (Lck), TXK tyrosine kinase (TXK) and spleen tyrosine kinase (Syk), in order of decreasing inhibitory effect [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
IL2 inducible T-cell kinase Inhibitor Inhibition 9.5 pIC50 - 1
pIC50 9.5 (IC50 3x10-10 M) [1]
LCK proto-oncogene, Src family tyrosine kinase Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 3.92x10-8 M) [1]
TXK tyrosine kinase Inhibitor Inhibition 7.1 pIC50 - 1
pIC50 7.1 (IC50 7.75x10-8 M) [1]
spleen associated tyrosine kinase Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 3.582x10-7 M) [1]