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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;   Formula=C17H17F3N4;   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;   InChIKey=LXFHSCDLMBZYKY-UHFFFAOYSA-N;   SMILES=CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
 xref: LINCS:LSM-2420;   PMID:10607113;   PMID:11224163;   PMID:11224442;   PMID:1362158;   PMID:1645675;   PMID:17392733;   PMID:2255331;   PMID:3496228;   PMID:7501681;   PMID:8223931;   Reaxys:4206934


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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
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G Htr1b 5-hydroxytryptamine receptor 1B affects binding EXP CGS 12066B binds to HTR1B protein CTD PMID:11888550 NCBI chr 8:82,513,572...82,534,892
Ensembl chr 8:82,517,360...82,534,549
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  CHEBI ontology 19812
    role 19761
      biological role 19761
        pharmacological role 18842
          neurotransmitter agent 16452
            serotonergic drug 3980
              serotonergic agonist 984
                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
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  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    main group molecular entity 19708
                      s-block molecular entity 19493
                        hydrogen molecular entity 19488
                          hydrides 18845
                            inorganic hydride 17691
                              pnictogen hydride 17672
                                nitrogen hydride 17545
                                  azane 17279
                                    ammonia 17278
                                      organic amino compound 17278
                                        tertiary amino compound 8677
                                          N-arylpiperazine 2768
                                            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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