compound 30 [PMID: 17280833]

Ligand id: 8193

Name: compound 30 [PMID: 17280833]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 63.42
Molecular weight 504.25
XLogP 9.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
Although this compound was designed as a potential Lck inhibitor, it has equal if not slightly higher potency for tyrosine kinase non-receptor 2 (TNK2, aka Ack) [1], so we have tagged TNK2 as the compound's primary target.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
tyrosine kinase non receptor 2 Hs Inhibitor Inhibition 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
LCK proto-oncogene, Src family tyrosine kinase Hs Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5x10-9 M) [1]