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 GtoPdb and ChEMBL (where available) across species

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