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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 8:58,605,403...58,669,339
Ensembl chr 8:58,605,403...58,669,339 		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 chr11:70,385,586...70,437,793
Ensembl chr11:70,385,586...70,446,760 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      chemical role 20396
        environmental contaminant 19676
          naphthalene 2435
            tetralin 165
              (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin 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
                            organic hydride 19079
                              organic fundamental parent 19079
                                hydrocarbon 18731
                                  cyclic hydrocarbon 17330
                                    arene 17311
                                      polycyclic arene 17112
                                        ortho-fused polycyclic arene 9959
                                          ortho-fused bicyclic arene 2490
                                            naphthalene 2435
                                              tetralin 165
                                                (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin 2
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