compound 29e [PMID: 23631440]

Ligand id: 8578

Name: compound 29e [PMID: 23631440]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 151.99
Molecular weight 505.17
XLogP 3.79
No. Lipinski's rules broken 1

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
MMP9 Inhibitor Inhibition 8.8 pKi - 1
pKi 8.8 (Ki 1.5x10-9 M) [1]
MMP14 Inhibitor Inhibition 8.4 pKi - 1
pKi 8.4 (Ki 4x10-9 M) [1]