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CHEBI:72296 - apixaban

ChEBI IDCHEBI:72296
ChEBI Nameapixaban
Stars
DefinitionA pyrazolopyridine that is 7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide substituted at position 1 by a 4-methoxyphenyl group and at position 6 by a 4-(2-oxopiperidin-1-yl)phenyl group. It is used for the prevention and treatment of thromboembolic diseases.
Last Modified7 March 2013
SubmitterSteve
DownloadsMolfile
FormulaC25H25N5O4
Net Charge0
Average Mass459.506
Monoisotopic Mass459.19065
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
InChIInChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
InChIKeyQNZCBYKSOIHPEH-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
EC 3.4.21.6 (coagulation factor Xa) inhibitor  An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of coagulation factor Xa (EC 3.4.21.6).
Application:
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
apixaban (CHEBI:72296) has role anticoagulant (CHEBI:50249)
apixaban (CHEBI:72296) has role EC 3.4.21.6 (coagulation factor Xa) inhibitor (CHEBI:68581)
apixaban (CHEBI:72296) is a aromatic ether (CHEBI:35618)
apixaban (CHEBI:72296) is a lactam (CHEBI:24995)
apixaban (CHEBI:72296) is a piperidones (CHEBI:48589)
apixaban (CHEBI:72296) is a pyrazolopyridine (CHEBI:46699)
IUPAC Name 
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
INNs  Source
apixabanKEGG DRUG
apixabánWHO MedNet
apixabanWHO MedNet
apixabanumWHO MedNet
Synonyms  Source
BMS 562247-01ChemIDplus
BMS-562247-01ChemIDplus
BMS-562247DrugBank
Brand Name  Source
EliquisKEGG DRUG
Manual XrefsDatabases
D03213KEGG DRUG
GG2PDBeChem
WO2010030983Patent
WO2007022165Patent
US2007259913Patent
WO2008031782Patent
ApixabanWikipedia
DB06605DrugBank
Registry NumbersSources
Reaxys:11244786Reaxys
CAS:503612-47-3KEGG DRUG
CAS:503612-47-3ChemIDplus
Citations