compound 5 [PMID: 24900526]

Ligand id: 7869

Name: compound 5 [PMID: 24900526]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 16
Topological polar surface area 168
Molecular weight 589.21
XLogP 4.37
No. Lipinski's rules broken 2

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 4.9 pIC50 - 1
pIC50 4.9 (IC50 1.3x10-5 M) This is the prodrug [1]