compound 1 [PMID: 24900526]

Ligand id: 7870

Name: compound 1 [PMID: 24900526]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 91.85
Molecular weight 291.06
XLogP 4.09
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
Final component from pre-pro to prodrug to drug
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
MMP12 Hs Inhibitor Inhibition 6.5 pIC50 - 1
pIC50 6.5 (IC50 2.9x10-7 M) [1]