linagliptin

Ligand id: 6318

Name: linagliptin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 113.48
Molecular weight 472.23
XLogP 2.6
No. Lipinski's rules broken 0

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
dipeptidyl peptidase 4 Inhibitor Inhibition 9.0 pKi - 1
pKi 9.0 (Ki 1x10-9 M) [1]