CHEBI:85973 - edoxaban

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ChEBI Name edoxaban
ChEBI ID CHEBI:85973
Definition A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H30ClN7O4S
Net Charge 0
Average Mass 548.05800
Monoisotopic Mass 547.17685
InChI InChI=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
InChIKey HGVDHZBSSITLCT-JLJPHGGASA-N
SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): 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.
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ChEBI Ontology
Outgoing 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 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
edoxaban KEGG DRUG
Synonym Source
DU-176 ChemIDplus
Manual Xrefs Databases
4897 DrugCentral
D09710 KEGG DRUG
Edoxaban Wikipedia
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Registry Numbers Types Sources
11407476 Reaxys Registry Number Reaxys
480449-70-5 CAS Registry Number KEGG DRUG
480449-70-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017