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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
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Accession:CHEBI:64055 term browser browse the term
Definition:A pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. 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: CGS 12066B
 xref: Reaxys:4206934;   lincs.smallmolecule:LSM-2420;   pubmed:10607113;   pubmed:11224163;   pubmed:11224442;   pubmed:1362158;   pubmed:1645675;   pubmed:17392733;   pubmed:2255331;   pubmed:3496228;   pubmed:7501681;   pubmed:8223931
 chemrof_formula: C17H17F3N4
 chemrof_smiles: CN1CCN(c2nc3cc(C(F)(F)F)ccc3n3cccc23)CC1
 chemrof_inchi: InChI=1S/C17H17F3N4/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/h2-6,11H,7-10H2,1H3
 chemrof_inchikey: LXFHSCDLMBZYKY-UHFFFAOYSA-N


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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
      biological role 20831
        pharmacological role 19772
          neurotransmitter agent 16568
            serotonergic drug 4424
              serotonergic agonist 1042
                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
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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