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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:vanoxerine
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Accession:CHEBI:64089 term browser browse the term
Definition:An N-alkylpiperazine that consists of piperazine bearing 2-bis(4-fluorophenyl)methoxy]ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration.
Synonyms:exact_synonym: 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazine
 related_synonym: Formula=C28H32F2N2O;   GBR 12909;   GBR12909;   InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2;   InChIKey=NAUWTFJOPJWYOT-UHFFFAOYSA-N;   SMILES=Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1;   vanoxerina;   vanoxerinum
 xref: CAS:67469-69-6;   LINCS:LSM-2703;   PMID:21146374;   PMID:21198550;   PMID:21334368;   PMID:21396352;   PMID:21615815;   PMID:21694584;   PMID:21820012;   PMID:22043293;   PMID:22134476;   PMID:22296263;   PMID:22344407;   Reaxys:587912;   Wikipedia:Vanoxerine
 cyclic_relationship: is_conjugate_base_of CHEBI:64087


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26089
    role 26005
      application 25223
        NMR chemical shift reference compound 20451
          ammonia 19966
            organic amino compound 19966
              tertiary amino compound 10446
                vanoxerine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26089
    subatomic particle 26064
      composite particle 26064
        hadron 26064
          baryon 26064
            nucleon 26064
              atomic nucleus 26064
                atom 26064
                  main group element atom 25891
                    main group molecular entity 25891
                      s-block molecular entity 25200
                        hydrogen molecular entity 24793
                          hydrides 22992
                            inorganic hydride 20522
                              pnictogen hydride 20463
                                nitrogen hydride 20241
                                  azane 19967
                                    ammonia 19966
                                      organic amino compound 19966
                                        tertiary amino compound 10446
                                          N-alkylpiperazine 3424
                                            vanoxerine 0
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