dabigatran

Ligand id: 6380

Name: dabigatran

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 150.22
Molecular weight 471.2
XLogP 2.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
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
Comments
Note that the Wikipedia entry refers to the prodrug.
Database Links
CAS Registry No. 211914-51-1
ChEBI CHEBI:70752
ChEMBL Ligand CHEMBL48361
GtoPdb PubChem SID 178102998
PubChem CID 216210
RCSB PDB Ligand 4CC
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Wikipedia Dabigatran