Ligand id: 8816

Name: AKK(thioAc)LM21

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 8
Rotatable bonds 28
Topological polar surface area 275.16
Molecular weight 647.35
XLogP -1.09
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

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
sirtuin 6 Hs Inhibitor Inhibition 4.3 pIC50 - 1
pIC50 4.3 (IC50 4.7x10-5 M) [1]