dabigatran (pradaxa) Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem

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Chemistry

Mol. Mass

627.75

ALogP

5.6

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCCCCOC(=O)\N=C(/N)\c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c4ccccn4)cc1
  • InChIKey: KSGXQBZTULBEEQ-UHFFFAOYSA-N
    InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL539697   ChEMBL
dabigatran etexilate *

CHEMBL1615369   ChEMBL
dabigatran etexilate mesylate

CHEMBL48361   ChEMBL
dabigatran

I0VM4M70GC   NCATS
dabigatran *

Dabigatran   Wikipedia

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