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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:GR 127935
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Accession:CHEBI:64114 term browser browse the term
Definition:A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration.
Synonyms:exact_synonym: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamide
 related_synonym: 2'-Methyl-4'-(5-methyl-(1,2,4)-oxadiazol-3-yl)biphenyl-4-carboxylic acid (4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)amide;   Formula=C29H31N5O3;   GR127935;   InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35);   InChIKey=YDBCEBYHYKAFRX-UHFFFAOYSA-N;   SMILES=COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
 xref: CAS:148672-13-3;   LINCS:LSM-2243
 xref_mesh: MESH:C090701
 xref: PMID:18952090;   PMID:19135047;   PMID:19356724;   PMID:19945477;   PMID:20152720;   PMID:20171242;   PMID:20385119;   PMID:20422941;   PMID:21262272;   PMID:21473863;   PMID:21653728;   PMID:21868165;   Patent:EP760665;   Patent:US5340810;   Reaxys:7061533
 cyclic_relationship: is_conjugate_base_of CHEBI:64113

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GR 127935 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adra1a adrenoceptor alpha 1A multiple interactions EXP GR 127935 promotes the reaction [Phenylephrine binds to and results in increased activity of ADRA1A protein] CTD PMID:16545797 NCBI chr15:40,830,125...40,935,902
Ensembl chr15:40,832,534...40,927,500 		JBrowse link
G Calca calcitonin-related polypeptide alpha multiple interactions EXP GR 127935 inhibits the reaction [eletriptan results in decreased expression of CALCA mRNA]; GR 127935 inhibits the reaction [Sumatriptan 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 affects binding EXP GR 127935 binds to HTR1B protein CTD PMID:11888550 NCBI chr 8:82,513,572...82,534,892
Ensembl chr 8:82,517,360...82,534,549 		JBrowse link
G Htr2a 5-hydroxytryptamine receptor 2A multiple interactions EXP [[volinanserin binds to and results in decreased activity of HTR2A protein] which co-treated with GR 127935] results in decreased susceptibility to Methamphetamine; GR 127935 binds to and results in decreased activity of HTR2A protein CTD PMID:9109356 PMID:11751031 NCBI chr15:49,950,035...50,022,188
Ensembl chr15:49,950,804...50,020,928 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    role 19761
      application 19471
        refrigerant 17691
          ammonia 17278
            organic amino compound 17278
              tertiary amino compound 8677
                N-alkylpiperazine 3107
                  GR 127935 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        carboacyl group 17482
                                          univalent carboacyl group 17482
                                            carbamoyl group 17298
                                              carboxamide 17298
                                                monocarboxylic acid amide 15014
                                                  arenecarboxamide 7265
                                                    benzamides 7265
                                                      GR 127935 4
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