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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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  CHEBI ontology 19659
    role 19634
      application 19465
        pharmaceutical 19355
          drug 19355
            gastrointestinal drug 334
              eluxadoline 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19659
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19700
                atom 19658
                  main group element atom 19607
                    main group molecular entity 19649
                      s-block molecular entity 19457
                        hydrogen molecular entity 19450
                          hydrides 18928
                            organic hydride 18546
                              organic fundamental parent 18582
                                hydrocarbon 18313
                                  cyclic hydrocarbon 17184
                                    monocyclic hydrocarbon 6054
                                      annulene 5702
                                        aromatic annulene 5702
                                          benzene 5702
                                            alkylbenzene 3404
                                              methylbenzene 3269
                                                toluene 3137
                                                  benzyl group 2541
                                                    phenylalanine 2539
                                                      L-phenylalanine 2282
                                                        L-phenylalanine derivative 2268
                                                          eluxadoline 1
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