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

No information available.
Summary of Clinical Use
Dabigatran is a thrombin inhibitor used to reduce the risk of stroke and systemic embolism in patients with non-valvular atrial fibrillation and may be used post-operatively (esp following orthopedic surgery). Because the antithrombotic effects of dabigatran are more predictable than those of warfarin, regular blood testing to monitor clotting level is not required. In April 2014 this drug was approved by the US FDA for the additional indications of deep venous thrombosis (DVT) and pulmonary embolism (PE).
Mechanism Of Action and Pharmacodynamic Effects
Dabigatran etexilate is metabolized to dabigatran by a serum esterase in the plasma and liver. Dabigatran, is a synthetic, competitive and reversible inhibitor of the serine protease, thrombin. Thrombin inhibition interupts the conversion of fibrinogen to fibrin in the coagulation cascade and consequently prevents clot formation.