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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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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            hematologic agent 0
              anticoagulant 0
                edoxaban 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                edoxaban 0
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