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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:eluxadoline
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Accession:CHEBI:85980 term browser browse the term
Definition:An amino acid amide obtained by the formal condensation of the carboxy group of 4-carbamoyl-2,6-dimethyl-L-phenylalanine with the secondary amino group of 2-methoxy-5-({[(1S)-1-(4-phenylimidazol-2-yl)ethyl]amino}methyl)benzoic acid. It has mixed opioid receptor activity and is used for treatment of irritable bowel syndrome with diarrhoea.
Synonyms:exact_synonym: 5-({(4-carbamoyl-2,6-dimethyl-L-phenylalanyl)[(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]amino}methyl)-2-methoxybenzoic acid
 related_synonym: Formula=C32H35N5O5;   InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1;   InChIKey=QFNHIDANIVGXPE-FNZWTVRRSA-N;   SMILES=COc1ccc(CN([C@@H](C)c2nc(c[nH]2)-c2ccccc2)C(=O)[C@@H](N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O;   Viberzi
 xref: CAS:864821-90-9;   Drug_Central:5001;   KEGG:D10403
 xref_mesh: MESH:C583636
 xref: PMID:23583433;   PMID:25261794;   PMID:25491493;   Reaxys:12390967


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eluxadoline term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Oprd1 opioid receptor, delta 1 affects response to substance ISO OPRD1 protein affects the susceptibility to eluxadoline CTD PMID:25261794 NCBI chr 5:144,306,188...144,340,960
Ensembl chr 5:144,306,188...144,340,960
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      application 19481
        pharmaceutical 19329
          drug 19329
            gastrointestinal drug 328
              eluxadoline 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    main group molecular entity 19716
                      s-block molecular entity 19502
                        hydrogen molecular entity 19498
                          hydrides 18852
                            organic hydride 18353
                              organic fundamental parent 18353
                                hydrocarbon 18066
                                  cyclic hydrocarbon 17078
                                    monocyclic hydrocarbon 5831
                                      annulene 5656
                                        aromatic annulene 5656
                                          benzene 5656
                                            alkylbenzene 3372
                                              methylbenzene 3237
                                                toluene 3103
                                                  benzyl group 2517
                                                    phenylalanine 2517
                                                      L-phenylalanine 2262
                                                        L-phenylalanine derivative 2249
                                                          eluxadoline 1
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