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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

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  CHEBI ontology 19659
    role 19634
      application 19465
        refrigerant 17952
          ammonia 17402
            organic amino compound 17402
              tertiary amino compound 9087
                N-alkylpiperazine 3353
                  GR 127935 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19659
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19700
                atom 19658
                  main group element atom 19607
                    p-block element atom 19607
                      carbon group element atom 19550
                        carbon atom 19547
                          organic molecular entity 19588
                            organic group 18752
                              organic divalent group 18771
                                organodiyl group 18737
                                  carbonyl group 18704
                                    carbonyl compound 18738
                                      carboxylic acid 18409
                                        carboacyl group 17570
                                          univalent carboacyl group 17599
                                            carbamoyl group 17407
                                              carboxamide 17407
                                                monocarboxylic acid amide 15526
                                                  arenecarboxamide 7306
                                                    benzamides 7313
                                                      GR 127935 4
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