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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:(+)-butaclamol
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Accession:CHEBI:73298 term browser browse the term
Definition:An organic heteropentacyclic compound that is 2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinoline substituted at position 3 by both hydroxy and tert-butyl groups.
Synonyms:exact_synonym: (3R,4aR,13bR)-3-tert-butyl-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol
 related_synonym: Formula=C25H31NO;   InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1;   InChIKey=ZZJYIKPMDIWRSN-TZBSWOFLSA-N;   SMILES=[H][C@]12C[C@](O)(CCN1C[C@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C;   d-Butaclamol
 xref: CAS:56245-67-1
 xref_mesh: MESH:D002069
 xref: PMID:22588261;   PMID:23035552;   PMID:23597562;   PMID:2418852;   PMID:436760;   PMID:6167812;   Patent:US2012035203;   Patent:WO2010129273;   Reaxys:5767449;   Wikipedia:Butaclamol


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(+)-butaclamol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G DRD2 dopamine receptor D2 affects binding ISO Butaclamol binds to DRD2 protein CTD PMID:18457824 NCBI chr11:113,409,605...113,475,398
Ensembl chr11:113,409,605...113,475,691 		JBrowse link
G DRD3 dopamine receptor D3 multiple interactions EXP Butaclamol inhibits the reaction [Dopamine results in increased activity of DRD3 protein] CTD PMID:31323226 NCBI chr 3:114,127,580...114,199,407
Ensembl chr 3:114,127,580...114,199,407 		JBrowse link
G DRD4 dopamine receptor D4 affects binding ISO Butaclamol binds to Drd4 protein RGD PMID:8078498 RGD:7248459 NCBI chr11:637,269...640,706
Ensembl chr11:637,269...640,706 		JBrowse link
G KCNH2 potassium voltage-gated channel subfamily H member 2 decreases activity EXP Butaclamol results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 7:150,944,961...150,978,321
Ensembl chr 7:150,944,961...150,978,321 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      biological role 25929
        pharmacological role 22058
          antagonist 18979
            dopaminergic antagonist 1648
              (+)-butaclamol 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    main group molecular entity 25834
                      s-block molecular entity 25166
                        hydrogen molecular entity 24765
                          hydrides 22965
                            inorganic hydride 20483
                              pnictogen hydride 20424
                                nitrogen hydride 20200
                                  azane 19942
                                    ammonia 19941
                                      organic amino compound 19941
                                        tertiary amino compound 10427
                                          (+)-butaclamol 4
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