compound 50 [PMID: 24313754]

Ligand id: 8824

Name: compound 50 [PMID: 24313754]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 110.1
Molecular weight 438.15
XLogP 3.19
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!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
bromodomain containing 9 Inhibitor Inhibition 6.5 pIC50 - 1
pIC50 6.5 (IC50 3.16x10-7 M) [1]
Selectivity at human other protein targets
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CECR2, histone acetyl-lysine reader Inhibitor Inhibition 6.8 pIC50 - 1
pIC50 6.8 (IC50 1.58x10-7 M) [1]
CREB binding protein Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 6.31x10-7 M) [1]