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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/calcitonin-related polypeptide, alpha multiple interactions
decreases expression		 ISO 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 7:114,225,223...114,236,145
Ensembl chr 7:114,230,713...114,235,592 		JBrowse link
G Htr1b 5-hydroxytryptamine (serotonin) receptor 1B multiple interactions ISO eletriptan binds to and results in increased activity of HTR1B protein CTD PMID:11301495 NCBI chr 9:81,510,344...81,515,885
Ensembl chr 9:81,510,344...81,515,881 		JBrowse link
G Htr1d 5-hydroxytryptamine (serotonin) receptor 1D multiple interactions ISO eletriptan binds to and results in increased activity of HTR1D protein CTD PMID:11301495 NCBI chr 4:136,150,835...136,171,716
Ensembl chr 4:136,150,835...136,171,709 		JBrowse link
G Kcnh2 potassium voltage-gated channel, subfamily H (eag-related), member 2 decreases activity ISO eletriptan results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 5:24,524,583...24,556,671
Ensembl chr 5:24,524,587...24,556,602 		JBrowse link
Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 22178
    role 22194
      application 21744
        anti-inflammatory agent 17331
          anti-inflammatory drug 15203
            non-steroidal anti-inflammatory drug 14432
              eletriptan 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    main group molecular entity 22104
                      s-block molecular entity 21729
                        hydrogen molecular entity 21646
                          hydrides 20758
                            inorganic hydride 18672
                              pnictogen hydride 18652
                                nitrogen hydride 18519
                                  azane 18426
                                    ammonia 18425
                                      organic amino compound 18425
                                        tertiary amino compound 10293
                                          N-alkylpyrrolidine 1229
                                            eletriptan 4
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