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CHEBI:140420 - eribaxaban

ChEBI IDCHEBI:140420
ChEBI Nameeribaxaban
Stars
DefinitionA member of the class of pyrrolidines that is (2R,4R)-N1-(p-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide in which the nitrogen of the 2-carbamoyl group has been substituted by a 2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl group. It is a synthetic organic anticoagulant compound that targets activated factor Xa in the coagulation cascade.
Last Modified4 May 2018
SubmitterBijay
DownloadsMolfile
FormulaC24H22ClFN4O4
Net Charge0
Average Mass484.915
Monoisotopic Mass484.13136
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1
InChIKeyQQBKAVAGLMGMHI-WIYYLYMNSA-N
Roles Classification
Biological Roles:
serine protease inhibitor  Any protease inhibitor that restricts the action of a serine protease.
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)
eribaxaban (CHEBI:140420) has role anticoagulant (CHEBI:50249)
eribaxaban (CHEBI:140420) has role EC 3.4.21.6 (coagulation factor Xa) inhibitor (CHEBI:68581)
eribaxaban (CHEBI:140420) has role serine protease inhibitor (CHEBI:64926)
eribaxaban (CHEBI:140420) is a monochlorobenzenes (CHEBI:83403)
eribaxaban (CHEBI:140420) is a monofluorobenzenes (CHEBI:83575)
eribaxaban (CHEBI:140420) is a pyridone (CHEBI:38183)
eribaxaban (CHEBI:140420) is a pyrrolidines (CHEBI:38260)
eribaxaban (CHEBI:140420) is a secondary carboxamide (CHEBI:140325)
eribaxaban (CHEBI:140420) is a ureas (CHEBI:47857)
IUPAC Name 
(2R,4R)-N1-(4-chlorophenyl)-N2-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
INNs  Source
eribaxabanChemIDplus
eribaxabánWHO MedNet
éribaxabanWHO MedNet
eribaxabanumWHO MedNet
Synonyms  Source
PD-0348292ChemIDplus
PD 348292ChemIDplus
PD0348292ChemIDplus
PD 0348292ChemIDplus
PD 348,292ChemIDplus
Manual XrefsDatabases
D08913KEGG DRUG
230PDBeChem
DB06920DrugBank
Registry NumbersSources
Reaxys:12467251Reaxys
CAS:536748-46-6ChemIDplus
Citations