compound 47 [PMID: 28737909]

Ligand id: 9646

Name: compound 47 [PMID: 28737909]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 111.61
Molecular weight 265.1
XLogP 0.55
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

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
conserved helix-loop-helix ubiquitous kinase Hs Inhibitor Inhibition 6.2 pKi - 1
pKi 6.2 (Ki 6.5x10-7 M) [1]
inhibitor of nuclear factor kappa B kinase subunit beta Hs Inhibitor Inhibition 5.6 pKi - 1
pKi 5.6 (Ki 2.3x10-6 M) [1]