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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-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol
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Accession:CHEBI:64001 term browser browse the term
Definition:A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a 3-methylphenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 6 and two hydroxy substituents at positions 7 and 8. Dopamine D1-like receptor partial agonist (Ki values are 1.18, 7.56, 920 and 399 nM for rat D1, D5, D2 and D3 receptors respectively). May act as an antagonist in vivo, producing anti-Parkinsonian effects and antagonising the behavioral effects of cocaine.
Synonyms:exact_synonym: 6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
 related_synonym: 3-Methyl-6-chloro-2,3,4,5-tetrahydro-7,8-dihydroxy-1-(3-methylphenyl)-1H-3-benzazepine;   Formula=C18H20ClNO2;   InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3;   InChIKey=JXMYTVOBSFOHAF-UHFFFAOYSA-N;   SK&F 83959;   SKF 83959;   SMILES=CN1CCc2c(cc(O)c(O)c2Cl)C(C1)c1cccc(C)c1
 xref: CAS:80751-85-5;   LINCS:LSM-36831
 xref_mesh: MESH:C080703
 xref: Reaxys:1549255
 cyclic_relationship: is_conjugate_base_of CHEBI:64000


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N-methyl-6-chloro-1-(3-methylphenyl)-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 Camk2a calcium/calmodulin-dependent protein kinase II alpha multiple interactions EXP 1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione inhibits the reaction [SK&F 83959 promotes the reaction [CAMK2A protein binds to DRD3 protein]]; SCH 23390 inhibits the reaction [SK&F 83959 promotes the reaction [CAMK2A protein binds to DRD3 protein]]; SK&F 83959 promotes the reaction [CAMK2A protein binds to DRD3 protein] CTD PMID:19217379 NCBI chr18:56,193,978...56,295,869
Ensembl chr18:56,193,978...56,295,869
JBrowse link
G Drd1 dopamine receptor D1 multiple interactions ISO SK&F 83959 binds to and results in increased activity of DRD1 protein CTD PMID:15985612 NCBI chr17:11,099,736...11,104,352
Ensembl chr17:11,101,306...11,103,541
JBrowse link
G Drd3 dopamine receptor D3 multiple interactions EXP 1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione inhibits the reaction [SK&F 83959 promotes the reaction [CAMK2A protein binds to DRD3 protein]]; SCH 23390 inhibits the reaction [SK&F 83959 promotes the reaction [CAMK2A protein binds to DRD3 protein]]; SK&F 83959 promotes the reaction [CAMK2A protein binds to DRD3 protein] CTD PMID:19217379 NCBI chr11:61,819,102...61,883,223
Ensembl chr11:61,822,077...61,874,327
JBrowse link

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  CHEBI ontology 19787
    role 19734
      application 19393
        refrigerant 17418
          ammonia 16940
            organic amino compound 16939
              tertiary amino compound 8630
                N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol 3
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  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
                            inorganic hydride 17411
                              pnictogen hydride 17383
                                nitrogen hydride 17224
                                  azane 16941
                                    ammonia 16940
                                      organic amino compound 16939
                                        tertiary amino compound 8630
                                          N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol 3
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