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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 chr15:43,296,997...43,398,314
Ensembl chr15:43,298,794...43,392,451 		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 1:184,184,018...184,188,922
Ensembl chr 1:184,184,020...184,188,911 		JBrowse link
G Htr1b 5-hydroxytryptamine receptor 1B affects binding EXP GR 127935 binds to HTR1B protein CTD PMID:11888550 NCBI chr 8:89,113,984...89,130,830
Ensembl chr 8:89,129,453...89,130,991 		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 chr15:56,666,152...56,732,469
Ensembl chr15:56,666,012...56,735,382 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      application 19391
        refrigerant 17418
          ammonia 16939
            organic amino compound 16938
              tertiary amino compound 8629
                N-alkylpiperazine 3075
                  GR 127935 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      carboxylic acid 18060
                                        carboacyl group 17346
                                          univalent carboacyl group 17346
                                            carbamoyl group 17132
                                              carboxamide 17132
                                                monocarboxylic acid amide 14551
                                                  arenecarboxamide 6507
                                                    benzamides 6507
                                                      GR 127935 4
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