compound 34 [PMID: 25974391]

Ligand id: 8396

Name: compound 34 [PMID: 25974391]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 115.02
Molecular weight 499.14
XLogP 2.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Compound 34 exhibits good selectivity over other bromodomain-containing proteins [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
tripartite motif containing 24 Hs Inhibitor Binding 6.7 pKd - 1
pKd 6.7 (Kd 2.22x10-7 M) [1]
Selectivity at other protein targets
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
bromodomain and PHD finger containing 1 Hs None Binding 6.9 pKd - 1
pKd 6.9 (Kd 1.37x10-7 M) [1]