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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_acid_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
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  CHEBI ontology 19800
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              tertiary amino compound 8697
                N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol 1
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  CHEBI ontology 19800
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                                      organic amino compound 17277
                                        tertiary amino compound 8697
                                          N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol 1
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