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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 8:53,678,777...53,743,643
Ensembl chr 8:53,678,777...53,743,642
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 chr11:61,819,102...61,883,223
Ensembl chr11:61,822,077...61,874,327
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      chemical role 19250
        environmental contaminant 18575
          naphthalene 2342
            tetralin 145
              (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    main group molecular entity 19672
                      s-block molecular entity 19430
                        hydrogen molecular entity 19420
                          hydrides 18686
                            organic hydride 18249
                              organic fundamental parent 18249
                                hydrocarbon 17969
                                  cyclic hydrocarbon 17065
                                    arene 17061
                                      polycyclic arene 16882
                                        ortho-fused polycyclic arene 9643
                                          ortho-fused bicyclic arene 2395
                                            naphthalene 2342
                                              tetralin 145
                                                (1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin 2
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