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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:eribaxaban
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Accession:CHEBI:140420 term browser browse the term
Definition:A member of the class of pyrrolidines that is (2R,4R)-N(1)-(p-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide in which the nitrogen of the 2-carbamoyl group has been substituted by a 2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl group. It is a synthetic organic anticoagulant compound that targets activated factor Xa in the coagulation cascade.
Synonyms:exact_synonym: (2R,4R)-N(1)-(4-chlorophenyl)-N(2)-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
 related_synonym: Formula=C24H22ClFN4O4;   InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1;   InChIKey=QQBKAVAGLMGMHI-WIYYLYMNSA-N;   PD 348,292;   PD 348292;   PD-0348292;   PD0348292;   SMILES=N1([C@H](C[C@H](C1)OC)C(=O)NC2=CC=C(C=C2F)N3C=CC=CC3=O)C(=O)NC4=CC=C(C=C4)Cl;   eribaxabanum
 xref: CAS:536748-46-6;   DrugBank:DB06920;   KEGG:D08913;   PDBeChem:230;   PMID:17683371;   PMID:18096830;   PMID:18392334;   PMID:19071881;   PMID:23782955;   PMID:26861270;   PMID:27119575;   PMID:28793291;   Reaxys:12467251


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  CHEBI ontology 19816
    role 19764
      application 19426
        agrochemical 14499
          fertilizer 11806
            urea 4989
              ureas 4987
                eribaxaban 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic group 18537
                              organic divalent group 18530
                                organodiyl group 18530
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18114
                                        carboacyl group 17372
                                          univalent carboacyl group 17372
                                            carbamoyl group 17158
                                              carboxamide 17158
                                                monocarboxylic acid amide 14569
                                                  urea 4989
                                                    ureas 4987
                                                      eribaxaban 0
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