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)

Ligand code = 4CC (link to the list of PDB complexes)

Download experimental 3D coordinates of 4CC with added hydrogens

DrugCentral

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
-

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL

e-Drug3D

1499

DABIGATRAN ETEXILATE

INN
DABIGATRAN ETEXILATE

(has an active metabolite)

cas 211915-06-9

CLASS

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

ROUTE (list)

ORAL

ATC code

B01AE07

PK parameters

Solubility

OF 1.8 MILLIGRAM / MILLILITER

Target

TARGET PROTHROMBIN

DrugCentral

Prothrombin UNIPROT P00734 F2

Download SDF file

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

Formula:
C34H41N7O5

Calculated chemical properties:

MW 627.74
NB_atoms 46
XLogP 5.81
PSA 131.901
NB_HD 3
NB_HA 12
fsp3 0.35
Lipinski(0=no;1=yes) 0

FDA
NDA 022512 (label) INN (DABIGATRAN ETEXILATE MESYLATE) PRADAXA (BOEHRINGER INGELHEIM) APPROVAL= AP YEAR= 2010
NDA 208057 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (TEVA PHARMS USA) APPROVAL= TA YEAR= 2017
NDA 207984 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (GLENMARK PHARMS LTD) APPROVAL= TA YEAR= 2020
NDA 207961 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (HETERO LABS LTD III) APPROVAL= AP YEAR= 2020
NDA 208040 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (ALKEM LABS LTD) APPROVAL= AP YEAR= 2020
NDA 214358 (label) INN (DABIGATRAN ETEXILATE MESYLATE) PRADAXA (BOEHRINGER INGELHEIM) APPROVAL= AP YEAR= 2021
NDA 208046 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (ALEMBIC PHARMS LTD) APPROVAL= TA YEAR= 2022
NDA 208070 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (APOTEX) APPROVAL= AP YEAR= 2023
NDA 207922 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (BRECKENRIDGE) APPROVAL= AP YEAR= 2024 DISCONTINUED
NDA 213879 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (MSN) APPROVAL= AP YEAR= 2024
NDA 215233 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (ALEMBIC) APPROVAL= AP YEAR= 2024
NDA 208048 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (DR REDDYS) APPROVAL= AP YEAR= 2025
NDA 208067 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (MYLAN) APPROVAL= AP YEAR= 2025
NDA 208039 (pdf not found) INN (DABIGATRAN ETEXILATE MESYLATE) DABIGATRAN ETEXILATE MESYLATE (AUROBINDO PHARMA) APPROVAL= AP YEAR= 2025