dabigatran

Ligand id: 6380

Name: dabigatran

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 150.22
Molecular weight 471.2
XLogP 3.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug dabigatran etexilate
IUPAC Name
3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
International Nonproprietary Names
INN number INN
8027 dabigatran
Database Links
CAS Registry No. 211914-51-1
ChEBI CHEBI:70752
ChEMBL Ligand CHEMBL48361
PubChem CID 216210
RCSB PDB Ligand 4CC
Search Google for chemical match using the InChIKey YBSJFWOBGCMAKL-UHFFFAOYSA-N
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Search PubMed clinical trials dabigatran
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Wikipedia Dabigatran
Comments
Note that the Wikipedia entry refers to the prodrug.