dabigatran

Ligand id: 6380

Name: dabigatran

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 150.22
Molecular weight 471.2
XLogP 3.36
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
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
coagulation factor II, thrombin Inhibitor Inhibition 8.3 pKi - 1
pKi 8.3 (Ki 4.5x10-9 M) [1]
Description: Binding affinity to human thrombin.
Other ligands which bind to or alter the activity of this ligand
Key to terms and symbols Click column headers to sort
Ligand Sp. Type Action Affinity Units Concentration range (M) Reference
idarucizumab N/A Antibody Binding 11.7 pKd - 2
pKd 11.7 (Kd 2.1x10-12 M) [2]