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 ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
15-LOX-2 Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5.1x10-8 M) [1]