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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 5:149,590,244...149,624,999
Ensembl chr 5:144,306,188...144,340,960 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19870
      application 19713
        pharmaceutical 19549
          drug 19549
            gastrointestinal drug 380
              eluxadoline 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    main group molecular entity 19836
                      s-block molecular entity 19670
                        hydrogen molecular entity 19652
                          hydrides 19162
                            organic hydride 18715
                              organic fundamental parent 18715
                                hydrocarbon 18462
                                  cyclic hydrocarbon 17250
                                    monocyclic hydrocarbon 6202
                                      annulene 5856
                                        aromatic annulene 5856
                                          benzene 5856
                                            alkylbenzene 3541
                                              methylbenzene 3395
                                                toluene 3267
                                                  benzyl group 2677
                                                    phenylalanine 2677
                                                      L-phenylalanine 2399
                                                        L-phenylalanine derivative 2355
                                                          eluxadoline 1
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