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CHEBI:85973 - edoxaban
| Formula | C24H30ClN7O4S |
| Net Charge | 0 |
| Average Mass | 548.069 |
| Monoisotopic Mass | 547.17685 |
| SMILES | CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1 |
| 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 |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | antiviral agent A substance that destroys or inhibits replication of viruses. 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: | hepatoprotective agent Any compound that is able to prevent damage to the liver. anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. 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. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| edoxaban (CHEBI:85973) has role anti-arrhythmia drug (CHEBI:38070) |
| edoxaban (CHEBI:85973) has role anticoagulant (CHEBI:50249) |
| edoxaban (CHEBI:85973) has role antiviral agent (CHEBI:22587) |
| edoxaban (CHEBI:85973) has role cardiovascular drug (CHEBI:35554) |
| edoxaban (CHEBI:85973) has role EC 3.4.21.6 (coagulation factor Xa) inhibitor (CHEBI:68581) |
| edoxaban (CHEBI:85973) has role hepatoprotective agent (CHEBI:62868) |
| 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 |
|---|---|
| edoxaban | KEGG DRUG |
| Synonym | Source |
|---|---|
| DU-176 | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11407476 | Reaxys |
| CAS:480449-70-5 | ChemIDplus |
| CAS:480449-70-5 | KEGG DRUG |
| Citations |
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