compound 21n [PMID: 17656086]

Ligand id: 8750

Name: compound 21n [PMID: 17656086]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 127.18
Molecular weight 597.22
XLogP 5.87
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
15-LOX-2 Hs Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5.1x10-8 M) [1]