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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-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol
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Accession:CHEBI:63988 term browser browse the term
Definition:A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, an allyl substituent at position 3 and two hydroxy substituents at positions 7 and 8. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo.
Synonyms:exact_synonym: 1-phenyl-3-prop-2-en-1-yl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
 related_synonym: 3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine;   3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;   Formula=C19H21NO2;   InChI=1S/C19H21NO2/c1-2-9-20-10-8-15-11-18(21)19(22)12-16(15)17(13-20)14-6-4-3-5-7-14/h2-7,11-12,17,21-22H,1,8-10,13H2;   InChIKey=QBUVZVXIRYFENV-UHFFFAOYSA-N;   N-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;   SK&F 77434;   SKF 77434;   SMILES=Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O
 xref: CAS:104422-04-0;   LINCS:LSM-1702
 xref_mesh: MESH:C067114
 xref: Reaxys:1546935;   Wikipedia:SKF-77434
 cyclic_relationship: is_conjugate_base_of CHEBI:63987


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N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Drd1 dopamine receptor D1 multiple interactions ISO SK&F 77434 binds to and results in increased activity of DRD1 protein CTD PMID:15985612 NCBI chr17:10,540,440...10,544,971
Ensembl chr17:10,540,558...10,545,002 		JBrowse link
Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 19867
    role 19837
      application 19682
        NMR chemical shift reference compound 18068
          ammonia 17867
            organic amino compound 17867
              tertiary amino compound 10151
                N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol 1
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Term Annotations click to browse term
  CHEBI ontology 19867
    subatomic particle 19865
      composite particle 19865
        hadron 19865
          baryon 19865
            nucleon 19865
              atomic nucleus 19865
                atom 19865
                  main group element atom 19803
                    main group molecular entity 19803
                      s-block molecular entity 19638
                        hydrogen molecular entity 19620
                          hydrides 19141
                            inorganic hydride 18156
                              pnictogen hydride 18146
                                nitrogen hydride 18059
                                  azane 17868
                                    ammonia 17867
                                      organic amino compound 17867
                                        tertiary amino compound 10151
                                          N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol 1
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