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