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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:edoxaban
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Accession:CHEBI:85973 term browser browse the term
Definition:A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.
Synonyms:exact_synonym: N(1)-(5-chloropyridin-2-yl)-N(2)-{(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
 related_synonym: DU-176;   Formula=C24H30ClN7O4S;   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
 xref: CAS:480449-70-5;   Drug_Central:4897;   KEGG:D09710;   PMID:24911450;   PMID:24973057;   PMID:25311731;   PMID:25403645;   PMID:25416564;   PMID:25419685;   PMID:25566930;   PMID:25596250;   PMID:25653574;   PMID:25669624;   PMID:25687352;   PMID:25732432;   PMID:25769357;   PMID:25769361;   PMID:25791908;   PMID:25809373;   PMID:25855704;   PMID:25925842;   PMID:25965706;   PMID:25966665;   PMID:25969414;   PMID:25971288;   PMID:26011596;   PMID:26019695;   Reaxys:11407476;   Wikipedia:Edoxaban
 cyclic_relationship: is_conjugate_base_of CHEBI:85976



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Path 1
Term Annotations click to browse term
  CHEBI ontology 26040
    role 25956
      application 25180
        pharmaceutical 24551
          drug 24548
            hematologic agent 5008
              anticoagulant 4489
                edoxaban 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26040
    subatomic particle 26015
      composite particle 26015
        hadron 26015
          baryon 26015
            nucleon 26015
              atomic nucleus 26015
                atom 26015
                  main group element atom 25840
                    p-block element atom 25840
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            organic group 23608
                              organic divalent group 23569
                                organodiyl group 23569
                                  carbonyl group 23563
                                    carbonyl compound 23563
                                      carboxylic acid 22717
                                        carboacyl group 20066
                                          univalent carboacyl group 20066
                                            carbamoyl group 19580
                                              carboxamide 19580
                                                monocarboxylic acid amide 16973
                                                  edoxaban 0
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