compound 1 [PMID: 15724976]

Ligand id: 7507

Name: compound 1 [PMID: 15724976]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 82.81
Molecular weight 196.11
XLogP 3.02
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
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Target Type Action Affinity Units Concentration range (M) Reference
lysine acetyltransferase 2B Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5.1x10-9 M) [1]
Description: ELISA assay measuring binding to the KAT2B (PCAF) bromodomain (GST-tagged protein containing amino acid residues 719-832) .