Ligand id: 8956

Name: BAY-678

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 82.85
Molecular weight 399.12
XLogP 4.23
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
The R-enantiomer is the active isomer. The S-enantiomer has an IC50 of >2000nM, compared to the R-enantiomer's IC50 of 20nM
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
elastase, neutrophil expressed Hs Inhibitor Inhibition 7.8 pKi - 2
pKi 7.8 (Ki 1.5x10-8 M) [2]