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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:N-\{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl\}-N-propylpropan-1-amine hydrochloride
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Accession:CHEBI:140905 term browser browse the term
Definition:An aromatic ether that is (2-phenoxyethyl)benzene which carries a 2-(dipropylamino)ethyl group at position 3 and a methoxy group at position 6. It is a potent and selective sigma1 receptor antagonist.
Synonyms:related_synonym: 4-methoxy-3-(2-phenylethoxy)-N,N-dipropyl-benzeneethanamine hydrochloride;   Formula=C23H34ClNO2;   InChI=1S/C23H33NO2.ClH/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20;/h6-12,19H,4-5,13-18H2,1-3H3;1H;   InChIKey=ZHGMDXSHODHWHV-UHFFFAOYSA-N;   N,N-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride;   N,N-dipropyl-2-[4-methoxy-3-(2-phenylethoxyl)phenyl]ethylamine hydrochloride;   NE-100;   SMILES=O(C=1C=C(CCN(CCC)CCC)C=CC1OC)CCC2=CC=CC=C2.[H]Cl
 xref: CAS:149409-57-4
 xref_mesh: MESH:C083832
 xref: PMID:10090790;   PMID:17556637;   PMID:27208832;   PMID:7475936;   PMID:7603628;   PMID:7609777;   PMID:7821367;   PMID:7823755;   PMID:7901723;   PMID:8041225;   PMID:8137864;   PMID:9544798;   Patent:EP0717990;   Patent:US5495046;   Reaxys:8296389


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N-\{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl\}-N-propylpropan-1-amine hydrochloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Sigmar1 sigma non-opioid intracellular receptor 1 multiple interactions EXP [N,N-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride binds to and results in decreased activity of SIGMAR1 protein] inhibits the reaction [1-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-3,4-dihydro-5-methoxy-2(1H)-quinolinone results in increased secretion of Acetylcholine] CTD PMID:11907181 NCBI chr 5:56,904,155...56,907,012
Ensembl chr 5:56,904,159...56,907,017 		JBrowse link
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  CHEBI ontology 19818
    role 19790
      application 19622
        pharmaceutical 19499
          drug 19499
            receptor modulator 18938
              N-\{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl\}-N-propylpropan-1-amine hydrochloride 1
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  CHEBI ontology 19818
    subatomic particle 19816
      composite particle 19816
        hadron 19816
          baryon 19816
            nucleon 19816
              atomic nucleus 19816
                atom 19816
                  main group element atom 19761
                    main group molecular entity 19761
                      s-block molecular entity 19612
                        hydrogen molecular entity 19601
                          hydrides 19077
                            inorganic hydride 17986
                              pnictogen hydride 17973
                                nitrogen hydride 17870
                                  azane 17655
                                    ammonia 17654
                                      organic amino compound 17654
                                        tertiary amino compound 9957
                                          N-\{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl\}-N-propylpropan-1-amine hydrochloride 1
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