compound 18 [PMID: 20873740]

Ligand id: 8191

Name: compound 18 [PMID: 20873740]

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 110.68
Molecular weight 279.11
XLogP 2.61
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
The interactions in the tabel below are the three with lowest IC50 values. All other tested interactions had IC50s > 800nM [1].
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 7.7 pIC50 - 1
pIC50 7.7 (IC50 2.2x10-8 M) [1]
cyclin dependent kinase 9 Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 3.94x10-7 M) [1]
TAO kinase 1 Inhibitor Inhibition 6.4 pIC50 - 1
pIC50 6.4 (IC50 4.2x10-7 M) [1]