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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:1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine
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Accession:CHEBI:64093 term browser browse the term
Definition:An N-alkylpiperazine that consists of piperazine bearing 2-(benzhydryloxy)ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes).
Synonyms:exact_synonym: 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine
 related_synonym: Formula=C28H34N2O;   GBR 12935;   GBR12935;   InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2;   InChIKey=RAQPOZGWANIDQT-UHFFFAOYSA-N;   SMILES=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
 xref: CAS:76778-22-8;   LINCS:LSM-3101
 xref_mesh: MESH:C044630
 xref: PMID:1346964;   PMID:18596684;   PMID:18784647;   PMID:19924693;   PMID:20576034;   PMID:21693154;   PMID:21741457;   PMID:21990355;   PMID:2952763;   PMID:3436357;   PMID:8007761;   PMID:9286626;   Reaxys:578614;   Wikipedia:GBR-12935
 cyclic_relationship: is_conjugate_base_of CHEBI:64092



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1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nr3c1 nuclear receptor subfamily 3, group C, member 1 multiple interactions ISO NR3C1 protein inhibits the reaction [1-(2 (diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine binds to SLC6A3 protein] CTD PMID:11226678 NCBI chr18:31,522,783...31,644,508
Ensembl chr18:31,522,783...31,643,843
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G Slc6a3 solute carrier family 6 member 3 affects binding
multiple interactions
ISO
EXP
1-(2 (diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine binds to SLC6A3 protein
1-(2 (diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine inhibits the reaction [Dextroamphetamine results in increased activity of SLC6A3 protein]; NR3C1 protein inhibits the reaction [1-(2 (diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine binds to SLC6A3 protein]
Paraquat inhibits the reaction [1-(2 (diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine binds to SLC6A3 protein]
CTD PMID:11226678 PMID:12716422 PMID:15985715 PMID:16190885 PMID:17493592 NCBI chr 1:31,537,990...31,578,962
Ensembl chr 1:31,537,990...31,578,962
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      application 20621
        NMR chemical shift reference compound 18453
          ammonia 18261
            organic amino compound 18261
              tertiary amino compound 11023
                1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    main group molecular entity 20781
                      s-block molecular entity 20574
                        hydrogen molecular entity 20558
                          hydrides 19693
                            inorganic hydride 18602
                              pnictogen hydride 18589
                                nitrogen hydride 18502
                                  azane 18262
                                    ammonia 18261
                                      organic amino compound 18261
                                        tertiary amino compound 11023
                                          N-alkylpiperazine 3447
                                            1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine 2
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