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ONTOLOGY REPORT - ANNOTATIONS


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 "ChemIDplus";   CAS:864821-90-9 "KEGG DRUG";   Drug_Central:5001 "DrugCentral";   KEGG:D10403
 xref_mesh: MESH:C583636
 xref: PMID:23583433 "Europe PMC";   PMID:25261794 "Europe PMC";   PMID:25491493 "Europe PMC";   Reaxys:12390967 "Reaxys"


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eluxadoline term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Oprd1 opioid receptor, delta 1 JBrowse link 5 150,288,126 150,323,063 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19749
    role 19696
      application 19347
        pharmaceutical 19222
          drug 19222
            gastrointestinal drug 263
              eluxadoline 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19749
    subatomic particle 19745
      composite particle 19745
        hadron 19745
          baryon 19745
            nucleon 19745
              atomic nucleus 19745
                atom 19745
                  main group element atom 19630
                    main group molecular entity 19630
                      s-block molecular entity 19390
                        hydrogen molecular entity 19379
                          hydrides 18296
                            organic hydride 17573
                              organic fundamental parent 17573
                                hydrocarbon 16996
                                  cyclic hydrocarbon 15110
                                    monocyclic hydrocarbon 5639
                                      annulene 5453
                                        aromatic annulene 5453
                                          benzene 5453
                                            alkylbenzene 3198
                                              methylbenzene 3058
                                                toluene 2919
                                                  benzyl group 2360
                                                    phenylalanine 2360
                                                      L-phenylalanine 2107
                                                        L-phenylalanine derivative 2096
                                                          eluxadoline 1
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.