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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 chr18:54,378,642...54,441,120
Ensembl chr18:54,378,784...54,438,994 		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 chr17:10,540,440...10,544,971
Ensembl chr17:10,540,558...10,545,002 		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 chr11:56,879,689...56,931,901
Ensembl chr11:56,879,689...56,940,596 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19890
    role 19839
      application 19703
        NMR chemical shift reference compound 18081
          ammonia 17860
            organic amino compound 17860
              tertiary amino compound 10153
                N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    main group molecular entity 19806
                      s-block molecular entity 19641
                        hydrogen molecular entity 19622
                          hydrides 19150
                            inorganic hydride 18152
                              pnictogen hydride 18164
                                nitrogen hydride 18055
                                  azane 17882
                                    ammonia 17860
                                      organic amino compound 17860
                                        tertiary amino compound 10153
                                          N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol 3
paths to the root