compound 11h [PMID: 29808961]

Ligand id: 9970

Name: compound 11h [PMID: 29808961]

Structure and Physico-chemical Properties

2D Structure
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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
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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).