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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 dihydrochloride
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Accession:CHEBI:64086 term browser browse the term
Definition:A hydrochloride salt that is obtained by reaction of vanoxerine with two equivalents of hydrogen chloride. 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 dihydrochloride
 related_synonym: 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazinediium dichloride;   Formula=C28H34Cl2F2N2O;   GBR 12909 dihydrochloride;   GBR12909 dihydrochloride;   InChI=1S/C28H32F2N2O.2ClH/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;2*1H;   InChIKey=MIBSKSYCRFWIRU-UHFFFAOYSA-N;   SMILES=Cl.Cl.Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1;   Vanoxerine hydrochloride
 xref: CAS:67469-78-7
 xref_mesh: MESH:C043425
 xref: PMID:10640288;   PMID:10939577;   PMID:16014753;   PMID:7700571;   PMID:8884229;   Reaxys:5696321


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vanoxerine dihydrochloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 multiple interactions ISO [Mephenytoin results in decreased activity of CYP2C19 protein] which results in decreased degradation of vanoxerine CTD PMID:11502731 NCBI chr 1:147,713,879...147,814,410
Ensembl chr 1:147,713,892...147,888,007
JBrowse link
G Cyp2c79 cytochrome P450, family 2, subfamily c, polypeptide 79 decreases degradation
multiple interactions
ISO CYP2C8 protein results in decreased degradation of vanoxerine
[Quercetin results in decreased activity of CYP2C8 protein] which results in decreased degradation of vanoxerine
CTD PMID:11502731 NCBI chr 1:147,236,480...147,307,988 JBrowse link
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 decreases degradation
multiple interactions
ISO CYP2E1 protein results in decreased degradation of vanoxerine
[Chlorzoxazone results in decreased activity of CYP2E1 protein] which results in decreased degradation of vanoxerine
CTD PMID:11502731 NCBI chr 1:213,511,892...213,522,195
Ensembl chr 1:213,511,874...213,535,542
JBrowse link
G Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 decreases degradation
multiple interactions
ISO CYP3A4 protein results in decreased degradation of vanoxerine
[Ketoconazole results in decreased activity of CYP3A4 protein] which results in decreased degradation of vanoxerine; [Quercetin results in decreased activity of CYP3A4 protein] which results in decreased degradation of vanoxerine
CTD PMID:11502731 NCBI chr12:18,679,809...18,709,397
Ensembl chr12:18,678,594...18,709,397
JBrowse link
G Fos Fos proto-oncogene, AP-1 transcription factor subunit increases expression EXP vanoxerine results in increased expression of FOS protein CTD PMID:10904129 NCBI chr 6:109,300,433...109,303,299
Ensembl chr 6:109,300,433...109,303,299
JBrowse link
G Gdnf glial cell derived neurotrophic factor multiple interactions ISO vanoxerine inhibits the reaction [[GDNF protein co-treated with Cyclic AMP] results in increased susceptibility to 1-Methyl-4-phenylpyridinium] CTD PMID:19647008 NCBI chr 2:56,884,181...56,912,964
Ensembl chr 2:56,887,987...56,910,238
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 multiple interactions ISO vanoxerine inhibits the reaction [KCNH2 protein results in increased transport of Thallium] CTD PMID:19583963 NCBI chr 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
JBrowse link
G Pdyn prodynorphin affects expression EXP vanoxerine affects the expression of PDYN protein CTD PMID:14997015 NCBI chr 3:122,194,327...122,206,671
Ensembl chr 3:122,194,329...122,206,671
JBrowse link
G Slc18a2 solute carrier family 18 member A2 affects binding ISO vanoxerine binds to SLC18A2 protein CTD PMID:7912402 NCBI chr 1:280,397,831...280,457,968
Ensembl chr 1:280,423,079...280,457,148
JBrowse link
G Slc6a3 solute carrier family 6 member 3 affects binding
decreases activity
multiple interactions
affects response to substance
decreases response to substance
ISO
EXP
vanoxerine binds to SLC6A3 protein
vanoxerine results in decreased activity of SLC6A3 protein
vanoxerine affects the reaction [Cocaine affects the expression of SLC6A3 protein]
SLC6A3 protein affects the susceptibility to vanoxerine
vanoxerine inhibits the reaction [SLC6A3 protein promotes the reaction [1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine results in decreased abundance of Dopamine]]
SLC6A3 gene mutant form results in decreased susceptibility to vanoxerine
[vanoxerine results in decreased activity of SLC6A3 protein] which results in decreased susceptibility to 1-Methyl-4-phenylpyridinium; vanoxerine inhibits the reaction [SLC6A3 protein results in increased uptake of Dopamine]
CTD PMID:11222668 PMID:11249581 PMID:11312315 PMID:17250655 PMID:18206288 PMID:18561912 PMID:19616025 PMID:22342763 NCBI chr 1:32,323,011...32,363,983
Ensembl chr 1:32,321,580...32,363,983
JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO vanoxerine inhibits the reaction [Dopamine analog results in increased expression of TNF protein] CTD PMID:27026709 NCBI chr20:5,189,382...5,192,000
Ensembl chr20:5,189,390...5,192,000
Ensembl chr20:5,189,390...5,192,000
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19817
    role 19767
      biological role 19767
        pharmacological role 18836
          neurotransmitter agent 16454
            dopaminergic agent 5089
              dopamine uptake inhibitor 4561
                vanoxerine dihydrochloride 11
Path 2
Term Annotations click to browse term
  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    p-block element atom 19705
                      halogen 18126
                        chlorine atom 17941
                          chlorine molecular entity 17941
                            elemental chlorine 8461
                              monoatomic chlorine 8444
                                chloride 8444
                                  chloride salt 8444
                                    organic chloride salt 884
                                      hydrochloride 674
                                        vanoxerine dihydrochloride 11
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