dabigatran etexilate

Ligand id: 6379

Name: dabigatran etexilate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 19
Topological polar surface area 154.03
Molecular weight 627.32
XLogP 6.36
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Compound class Synthetic organic
Approved drug? Yes (source: FDA (2010))
Is prodrug? Yes
Active form dabigatran
ethyl 3-[[2-[[[4-(N'-hexoxycarbonylcarbamimidoyl)phenyl]amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
International Nonproprietary Names
INN number INN
8028 dabigatran etexilate
BIBR 1048
Database Links
CAS Registry No. 211915-06-9
ChEMBL Ligand CHEMBL539697
DrugBank Ligand DB06695
PubChem CID 6445226
Search Google for chemical match using the InChIKey KSGXQBZTULBEEQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KSGXQBZTULBEEQ
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Wikipedia Dabigatran
Prodrug metabolised to the active drug dabigatran.
Marketed formulations contain dabigatran etexilate mesilate (PubChem CID 10439877).