e-Drug3D

1539

DABIGATRAN

INN
DABIGATRAN

cas 211914-51-1

CLASS

BLOOD
ANTITHROMBOTIC AGENTS
THROMBINE INHIBITOR
TO REDUCE THE RISK OF STROKE AND SYSTEMIC EMBOLISM IN PATIENTS WITH NON-VALVULAR ATRIAL FIBRILLATION

ROUTE (list)

ATC code

B01AE07

PK parameters

F 5 PERCENT
Tmax 1 HOUR
VD 60 LITER
Cl 2.8 LITER / HOUR (EQN)
PPB 35 PERCENT
t1/2 14.5 HOUR

Target

TARGET PROTHROMBIN

PDB
4JN2 (AN ANTIDOTE FOR DABIGATRAN)

Download experimental 3D coordinates of 4CC with added hydrogens

Prothrombin UNIPROT P00734 F2

Download SDF file

beta-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-

Formula:
C25H25N7O3

Calculated chemical properties:

MW 471.52
NB_atoms 35
XLogP -0.17
PSA 134.827
NB_HD 5
NB_HA 9
fsp3 0.16
Lipinski(0=no;1=yes) 1

FDA
-