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CHEBI:85973 - edoxaban

ChEBI IDCHEBI:85973
ChEBI Nameedoxaban
Stars
DefinitionA monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC24H30ClN7O4S
Net Charge0
Average Mass548.069
Monoisotopic Mass547.17685
SMILESCN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1
InChIInChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1
InChIKeyHGVDHZBSSITLCT-JLJPHGGASA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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).
Applications:
anticoagulant  An agent that prevents blood clotting.
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
ChEBI Ontology
Outgoing Relation(s)
edoxaban (CHEBI:85973) has role anticoagulant (CHEBI:50249)
edoxaban (CHEBI:85973) has role EC 3.4.21.6 (coagulation factor Xa) inhibitor (CHEBI:68581)
edoxaban (CHEBI:85973) has role platelet aggregation inhibitor (CHEBI:50427)
edoxaban (CHEBI:85973) is a chloropyridine (CHEBI:39173)
edoxaban (CHEBI:85973) is a monocarboxylic acid amide (CHEBI:29347)
edoxaban (CHEBI:85973) is a tertiary amino compound (CHEBI:50996)
edoxaban (CHEBI:85973) is a thiazolopyridine (CHEBI:46956)
edoxaban (CHEBI:85973) is conjugate base of edoxaban(1+) (CHEBI:85976)
Incoming Relation(s)
edoxaban(1+) (CHEBI:85976) is conjugate acid of edoxaban (CHEBI:85973)
IUPAC Name 
N1-(5-chloropyridin-2-yl)-N2-{(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl}ethanediamide
INN  Source
edoxabanKEGG DRUG
Synonym  Source
DU-176ChemIDplus
Manual XrefsDatabases
D09710KEGG DRUG
EdoxabanWikipedia
4897DrugCentral
Registry NumbersSources
Reaxys:11407476Reaxys
CAS:480449-70-5KEGG DRUG
CAS:480449-70-5ChemIDplus
Citations