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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 5:58,121,824...58,124,687
Ensembl chr 5:58,121,786...58,124,681
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    role 19825
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              N-\{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl\}-N-propylpropan-1-amine hydrochloride 1
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  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
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                      s-block molecular entity 19511
                        hydrogen molecular entity 19503
                          hydrides 18775
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                                  azane 17040
                                    ammonia 17039
                                      organic amino compound 17038
                                        tertiary amino compound 8652
                                          N-\{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl\}-N-propylpropan-1-amine hydrochloride 1
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