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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:eletriptan
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Accession:CHEBI:50922 term browser browse the term
Definition:An N-alkylpyrrolidine, that is N-methylpyrrolidine in which the pro-R hydrogen at position 2 is replaced by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group.
Synonyms:exact_synonym: 3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole
 related_synonym: Formula=C22H26N2O2S;   InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1;   InChIKey=PWVXXGRKLHYWKM-LJQANCHMSA-N;   SMILES=C1=CC=CC=C1S(CCC2=CC3=C(C=C2)NC=C3C[C@@H]4N(CCC4)C)(=O)=O;   eletriptanum
 xref: CAS:143322-58-1;   DrugBank:DB00216;   Drug_Central:995;   KEGG:D07887
 xref_mesh: MESH:C115647
 xref: Patent:US5545644;   Patent:US6110940;   Patent:WO9206973;   Reaxys:8441596;   Wikipedia:Eletriptan
 cyclic_relationship: is_conjugate_base_of CHEBI:61177


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eletriptan term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Calca calcitonin-related polypeptide alpha multiple interactions
decreases expression		 EXP GR 127935 inhibits the reaction [eletriptan results in decreased expression of CALCA mRNA]; isamoltane inhibits the reaction [eletriptan results in decreased expression of CALCA mRNA] CTD PMID:14715155 NCBI chr 1:168,878,212...168,883,176
Ensembl chr 1:168,878,214...168,883,105 		JBrowse link
G Htr1b 5-hydroxytryptamine receptor 1B multiple interactions EXP eletriptan binds to and results in increased activity of HTR1B protein CTD PMID:11301495 NCBI chr 8:82,513,572...82,534,670
Ensembl chr 8:82,517,360...82,534,549 		JBrowse link
G Htr1d 5-hydroxytryptamine receptor 1D multiple interactions EXP eletriptan binds to and results in increased activity of HTR1D protein CTD PMID:11301495 NCBI chr 5:148,656,252...148,676,532
Ensembl chr 5:148,674,495...148,675,619 		JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO eletriptan results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      application 19653
        anti-inflammatory agent 16607
          anti-inflammatory drug 14947
            non-steroidal anti-inflammatory drug 14261
              eletriptan 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    main group molecular entity 19782
                      s-block molecular entity 19620
                        hydrogen molecular entity 19607
                          hydrides 19113
                            inorganic hydride 18117
                              pnictogen hydride 18106
                                nitrogen hydride 18013
                                  azane 17821
                                    ammonia 17820
                                      organic amino compound 17820
                                        tertiary amino compound 10138
                                          N-alkylpyrrolidine 1233
                                            eletriptan 4
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