General
Preferred name
DABIGATRAN
Synonyms
Dabigatran (D4 hydrochloride) ()
BIBR-953 D4 hydrochloride ()
BIBR 953 ()
BIBR 953ZW ()
Pradaxa (dabigatran) ()
BIBR 953 ZW ()
BIBR-953-ZW ()
BIBR-953 ()
Dabigatran-d3 ()
Dabigatran-13C-d3 ()
P&D ID
PD012976
CAS
211914-51-1
1246817-44-6
2967480-55-1
Tags
available
drug
Drug indication
Venous thromboembolism
Stroke
Drug Status
approved
investigational
Max Phase
3.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Note that the Wikipedia entry refers to the prodrug.
(GtoPdb)
PRICE
136
DESCRIPTION
Dabigatran is the active form of the orally bioavailable prodrug dabigatran etexilate. It is a trombin inhibitor (Ki = 6.3 nM).
(Enamine Bioactive Compounds)
DESCRIPTION
Dabigatran (BIBR 953ZW) is a THROMBIN inhibitor which acts by binding and blocking thrombogenic activity and the prevention of thrombus formation. It is used to reduce the risk of stroke and systemic EMBOLISM in patients with nonvalvular atrial fibrillation.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
21
AdooQ Bioactive Compound Library
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Enamine Bioactive Compounds
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
Novartis Chemogenetic Library (NIBR MoA Box)
Other bioactive compounds
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
45
Molecular Weight
471.2
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
4
cLogP
2.99
TPSA
150.22
Fraction CSP3
0.16
Chiral centers
0.0
Largest ring
6.0
QED
0.22
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Thrombin
F2
Pathway
Metabolic Enzyme/Protease
Proteases/Proteasome
Member status
virtual
MOA
Known Thrombin inhibitor
Thrombin inhibitor
Indication
stroke, systemic embolism, pulmonary embolism (PE), deep vein thrombosis (DVT)
Disease Area
neurology/psychiatry, hematology
Source data
