compound 11h [PMID: 29808961]

Ligand id: 9970

Name: compound 11h [PMID: 29808961]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 88.56
Molecular weight 512.18
XLogP 4.87
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 11h potently inhibits proliferation of BRD4-sensitive cell lines HL-60 and MV4-11 (IC50s 120 and 90 nM respectively) [1]. Both of BRD4's BRD domains are inhibited by compound 11- BRD4(1) IC50 is 27 nM and BRD4(2) IC50 is 180 nM.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
bromodomain containing 4 Hs Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.7x10-8 M) [1]
Description: Inhibition of BRD4(1).