compound 5 [PMID: 21741839]

Ligand id: 8670

Name: compound 5 [PMID: 21741839]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 15
Topological polar surface area 218.23
Molecular weight 556.26
XLogP 2.63
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Compound 5 suppresses influenza virus replication in HAT-expressing MDCK cells [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
transmembrane protease, serine 11D Inhibitor Inhibition 7.7 pKi - 1
pKi 7.7 (Ki 1.9x10-8 M) [1]
transmembrane protease, serine 2 Inhibitor Inhibition 7.7 pKi - 1
pKi 7.7 (Ki 2x10-8 M) [1]