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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:(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin
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Accession:CHEBI:64117 term browser browse the term
Definition:A secondary amino compound that consists of tetralin bearing methyl, propylamino and methoxy groups at positions 1, 2 and 5 respectively. Dopamine receptor antagonist with preferential action at presynaptic receptors (pKi values are 6.95, 6.67, 6.37, 6.21 and 6.07 at hD3. hD4, hD2S, hD2L and rD2 receptors respectively).
Synonyms:exact_synonym: (1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
 related_synonym: 5-Methoxy-1-methyl-2-(n-propylamino)tetralin;   AJ-76;   Formula=C15H23NO;   InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1;   InChIKey=YGHLYBIUVOLKCV-SMDDNHRTSA-N;   SMILES=CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C;   cis-(+)-5-methoxy-1-methyl-2-(propylamino)tetralin
 xref: CAS:85379-09-5;   LINCS:LSM-25635
 xref_mesh: MESH:C051171
 xref: PMID:1589564;   PMID:1686769;   PMID:1867840;   PMID:2073922;   PMID:2397740;   PMID:2615920;   PMID:2880302;   PMID:3133239;   PMID:3562484;   PMID:3792447;   PMID:8103459;   PMID:8374772;   PMID:8739839;   PMID:9765337;   PMID:9928899;   Reaxys:4745495
 cyclic_relationship: is_conjugate_base_of CHEBI:64118


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(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Drd2 dopamine receptor D2 multiple interactions ISO 5-methoxy-1-methyl-2-(n-propylamino)tetralin binds to and results in decreased activity of DRD2 protein CTD PMID:10728880 NCBI chr 8:49,708,903...49,772,888
Ensembl chr 8:49,708,927...49,772,875 		JBrowse link
G Drd3 dopamine receptor D3 multiple interactions ISO 5-methoxy-1-methyl-2-(n-propylamino)tetralin binds to and results in decreased activity of DRD3 protein CTD PMID:10728880 NCBI chr11:56,879,689...56,931,901
Ensembl chr11:56,879,689...56,940,596 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19757
      chemical role 19332
        environmental contaminant 18634
          naphthalene 2360
            tetralin 149
              (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19807
      composite particle 19807
        hadron 19807
          baryon 19807
            nucleon 19807
              atomic nucleus 19807
                atom 19807
                  main group element atom 19704
                    main group molecular entity 19704
                      s-block molecular entity 19489
                        hydrogen molecular entity 19484
                          hydrides 18841
                            organic hydride 18350
                              organic fundamental parent 18350
                                hydrocarbon 18061
                                  cyclic hydrocarbon 17074
                                    arene 17070
                                      polycyclic arene 16889
                                        ortho-fused polycyclic arene 9664
                                          ortho-fused bicyclic arene 2415
                                            naphthalene 2360
                                              tetralin 149
                                                (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin 2
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