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CHEBI:760995 - dabigatran zwitterion

Default Structure
ChEBI IDCHEBI:760995
ChEBI Namedabigatran zwitterion
Stars
Last Modified1 October 2026
Submitterabridge
DownloadsMolfile
FormulaC25H25N7O3
Net Charge0
Average Mass471.521
Monoisotopic Mass471.20189
SMILESCn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3ccccn3)ccc21
InChIInChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
InChIKeyYBSJFWOBGCMAKL-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 3.4.21.5 (thrombin) inhibitor  An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of thrombin (EC 3.4.21.5).
antiviral agent  A substance that destroys or inhibits replication of viruses.
Application:
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
dabigatran zwitterion (CHEBI:760995) has role anticoagulant (CHEBI:50249)
dabigatran zwitterion (CHEBI:760995) has role antiviral agent (CHEBI:22587)
dabigatran zwitterion (CHEBI:760995) has role EC 3.4.21.5 (thrombin) inhibitor (CHEBI:65232)
dabigatran zwitterion (CHEBI:760995) is a aromatic amide (CHEBI:62733)
dabigatran zwitterion (CHEBI:760995) is a benzimidazoles (CHEBI:22715)
dabigatran zwitterion (CHEBI:760995) is a pyridines (CHEBI:26421)
dabigatran zwitterion (CHEBI:760995) is a β-alanine derivative (CHEBI:22823)
dabigatran zwitterion (CHEBI:760995) is tautomer of dabigatran (CHEBI:70752)
Synonym  Source
BIBR-953SUBMITTER
UniProt Name  Source
dabigatranUniProt