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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:related_synonym: 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline di[(2Z)-but-2-enedioate];   CGS 12066B;   CGS 12066B dimaleate
 xref: CAS:109028-10-6
 xref_mesh: MESH:C052561
 chemrof_formula: 4H.C17H17F3N4.2C4H2O4
 chemrof_smiles: CN1CCN(c2nc3cc(C(F)(F)F)ccc3n3cccc23)CC1.O=C([O-])/C=CC(=O)[O-].O=C([O-])/C=CC(=O)[O-].[H+].[H+].[H+].[H+]
 chemrof_inchikey: HTEVMLYDEWVIQE-SPIKMXEPSA-N
 chemrof_inchi: 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-


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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 1:178,312,636...178,317,588
Ensembl chr 1:178,312,638...178,317,529 		JBrowse link
G Htr1b 5-hydroxytryptamine receptor 1B affects binding EXP CGS 12066B binds to HTR1B protein CTD PMID:11888550 NCBI chr 8:91,395,405...91,414,815
Ensembl chr 8:91,052,432...91,418,583 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      application 20572
        pro-agent 8265
          prodrug 7985
            4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                organic heterocyclic compound 19381
                                  organic heteromonocyclic compound 18004
                                    piperazines 5086
                                      N-arylpiperazine 3471
                                        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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