compound 4d [PMID: 25489658]

Ligand id: 8483

Name: compound 4d [PMID: 25489658]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 52.6
Molecular weight 391.95
XLogP 5.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
In in situ zymography studies using mouse skin sections, compound 4d markedly inhibits protease activity [3].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
kallikrein related peptidase 7 Hs Inhibitor Inhibition 7.2 pIC50 - 3
pIC50 7.2 (IC50 6.4x10-8 M) [3]
kallikrein related peptidase 5 Hs Inhibitor Inhibition 6.0 pIC50 - 3
pIC50 6.0 (IC50 9.2x10-7 M) [3]
suppression of tumorigenicity 14 Hs Inhibitor Inhibition 5.8 pIC50 - 3
pIC50 5.8 (IC50 1.42x10-6 M) [3]
kallikrein related peptidase 14 Hs Inhibitor Inhibition 5.5 pIC50 - 3
pIC50 5.5 (IC50 2.9x10-6 M) [3]