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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:4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate
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Accession:CHEBI:64053 term browser browse the term
Definition:A maleate salt that is the dimaleate salt of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration.
Synonyms:exact_synonym: 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline di[(2Z)-but-2-enedioate]
 related_synonym: CGS 12066B;   CGS 12066B dimaleate;   Formula=C25H25F3N4O8;   InChI=1S/C17H17F3N4.2C4H4O4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16;2*5-3(6)1-2-4(7)8/h2-6,11H,7-10H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-;   InChIKey=HTEVMLYDEWVIQE-SPIKMXEPSA-N;   SMILES=[H+].[H+].[H+].[H+].[O-]C(=O)\\C=C/C([O-])=O.[O-]C(=O)\\C=C/C([O-])=O.CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
 xref: CAS:109028-10-6
 xref_mesh: MESH:C052561


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4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Calca calcitonin-related polypeptide alpha decreases expression EXP CGS 12066B 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 CGS 12066B 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
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    role 19825
      application 19667
        pro-agent 11548
          prodrug 11310
            4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19797
                    main group molecular entity 19797
                      s-block molecular entity 19629
                        hydrogen molecular entity 19610
                          hydrides 19121
                            inorganic hydride 18128
                              pnictogen hydride 18118
                                nitrogen hydride 18030
                                  azane 17835
                                    ammonia 17834
                                      organic amino compound 17834
                                        tertiary amino compound 10143
                                          N-arylpiperazine 3439
                                            4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline 2
                                              4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate 2
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