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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...82,534,670
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 19890
    role 19839
      biological role 19858
        pharmacological role 19090
          neurotransmitter agent 16802
            serotonergic drug 4338
              serotonergic antagonist 2691
                GR 127935 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    p-block element atom 19806
                      carbon group element atom 19746
                        carbon atom 19743
                          organic molecular entity 19743
                            heteroorganic entity 19502
                              organochalcogen compound 19264
                                organooxygen compound 19180
                                  carbon oxoacid 18666
                                    carboxylic acid 18663
                                      carboacyl group 17715
                                        univalent carboacyl group 17690
                                          carbamoyl group 17566
                                            carboxamide 17566
                                              monocarboxylic acid amide 15721
                                                arenecarboxamide 8254
                                                  benzamides 8254
                                                    GR 127935 4
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