compound 89S [PMID: 19115845]

Ligand id: 8114

Name: compound 89S [PMID: 19115845]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 96.69
Molecular weight 275.12
XLogP 0.8
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
Compound 89S inhibits tumour cell growth in vitro and in vivo [2].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
cell division cycle 7 Inhibitor Inhibition 9.3 pKi - 2
pKi 9.3 (Ki 5x10-10 M) [2]
cell division cycle 7 Inhibitor Inhibition 8.7 pIC50 - 2
pIC50 8.7 (IC50 2x10-9 M) [2]
cyclin dependent kinase 9 Inhibitor Inhibition 7.6 pIC50 - 2
pIC50 7.6 (IC50 2.8x10-8 M) [2]
Description: CDK9/cyclin T complex
cyclin dependent kinase 1 Inhibitor Inhibition 7.5 pIC50 - 2
pIC50 7.5 (IC50 3x10-8 M) [2]
Description: CDK1/cyclin B complex
TAO kinase 3 Inhibitor Inhibition 6.9 pIC50 - 2
pIC50 6.9 (IC50 1.26x10-7 M) [2]
cyclin dependent kinase 2 Inhibitor Inhibition 6.9 pIC50 - 2
pIC50 6.9 (IC50 1.38x10-7 M) [2]
Description: CDK2/cyclin A complex
glycogen synthase kinase 3 beta Inhibitor Inhibition 6.8 pIC50 - 2
pIC50 6.8 (IC50 1.46x10-7 M) [2]
serine/threonine-protein kinase NIM1 Inhibitor Inhibition <5.4 pIC50 - 2
pIC50 <5.4 (IC50 >4x10-6 M) [2]