compound 20 [PMID: 22153340]

Ligand id: 6568

Name: compound 20 [PMID: 22153340]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 118.13
Molecular weight 427.11
XLogP 3.96
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!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
MMP12 Inhibitor Inhibition 10.0 pIC50 - 1
pIC50 10.0 (IC50 1x10-10 M) [1]