Melagatran

Melagatran is an inhibitor of thrombin (Ki = 0. µM) and an active metabolite of the prodrug ximelagatran (Cay-16862). It is selective for thrombin over a variety of serine proteases (Kis = 0.6-10. µM) but also inhibits trypsin (Ki = 0. µM). Melagatran inhibits thrombin-induced aggregation of isolated washed human platelets (IC50 = 1. nM). It decreases the dry weight of thrombi in rats (ED50 = 16 µg/kg). Melagatran increases total bleeding time and blood loss in rats (ID50s = 300 and 6. µg/kg, respectively). Melagatran (5 µmol/kg per hour), alone or in combination with tissue plasminogen activator (tPA), reduces brain infarct volume and increases blood reperfusion in a rat model of ischemia-induced traumatic brain injury (TBI).InChI: InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1 InChIKey: DKWNMCUOEDMMIN-PKOBYXMFSA-N SMILES: NC(C1=CC=C(CNC([C@@H]2CCN2C([C@@H](C3CCCCC3)NCC(O)=O)=O)=O)C=C1)=N