compound 46 [PMID: 16451062]

Ligand id: 8355

Name: compound 46 [PMID: 16451062]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 149.97
Molecular weight 580.23
XLogP 3.17
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
Compound 46 failed to inhibit kinase activity in a selectivity panel screen of other kinase enzymes, including 4 serine-threonine kinases and 9 tyrosine kinases [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
aurora kinase A Hs Inhibitor Inhibition >9.0 pIC50 - 1
pIC50 >9.0 (IC50 <1x10-9 M) [1]
aurora kinase B Hs Inhibitor Inhibition >8.1 pIC50 - 1
pIC50 >8.1 (IC50 <7x10-9 M) [1]