BMS-345541

Ligand id: 5669

Name: BMS-345541

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 68.24
Molecular weight 255.15
XLogP 1.88
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!)

Bioactivity Comments
BMS-345541 is active against LPS-induced NF-κB activation in mice [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
inhibitor of nuclear factor kappa B kinase subunit beta Allosteric modulator Negative 6.9 pKd - 2
pKd 6.9 (Kd 1.3x10-7 M) [2]
inhibitor of nuclear factor kappa B kinase subunit beta Allosteric modulator Negative 6.5 pIC50 - 1
pIC50 6.5 (IC50 3x10-7 M) [1]
conserved helix-loop-helix ubiquitous kinase Allosteric modulator Negative 5.4 pIC50 - 1
pIC50 5.4 (IC50 4x10-6 M) [1]