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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:acebutolol
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Accession:CHEBI:2379 term browser browse the term
Definition:An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.
Synonyms:exact_synonym: N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide
 related_synonym: 3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide;   5'-butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone;   Formula=C18H28N2O4;   InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);   InChIKey=GOEMGAFJFRBGGG-UHFFFAOYSA-N;   N-(3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide;   N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide;   SMILES=CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O;   acebutololum;   acetobutolol
 xref: Beilstein:2162244;   CAS:37517-30-9;   DrugBank:DB01193;   Drug_Central:40;   Gmelin:2179873;   KEGG:C06803;   KEGG:D02338;   LINCS:LSM-4384
 xref_mesh: MESH:D000070
 xref: PMID:1378852;   Patent:US3857952;   Patent:ZA6808345;   Wikipedia:Acebutolol
 cyclic_relationship: is_conjugate_base_of CHEBI:62101


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acebutolol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adrb1 adrenoceptor beta 1 multiple interactions
increases activity
ISO [Acebutolol co-treated with ADRB1] results in increased abundance of Cyclic AMP; CGP 20712A inhibits the reaction [[Acebutolol co-treated with ADRB1] results in increased abundance of Cyclic AMP]; CGP 20712A inhibits the reaction [Acebutolol results in increased activity of ADRB1 protein] CTD PMID:12761341 NCBI chr 1:277,537,585...277,538,985
Ensembl chr 1:277,537,585...277,538,985
JBrowse link
G Adrb2 adrenoceptor beta 2 multiple interactions ISO [Acebutolol binds to ADRB2 protein] which results in increased abundance of Cyclic AMP; [Acebutolol binds to ADRB2 protein] which results in increased phosphorylation of MAPK1 protein; [Acebutolol binds to ADRB2 protein] which results in increased phosphorylation of MAPK3 protein CTD PMID:17925438 NCBI chr18:57,513,792...57,515,834
Ensembl chr18:57,513,793...57,515,834
JBrowse link
G Fos Fos proto-oncogene, AP-1 transcription factor subunit increases expression ISO Acebutolol results in increased expression of FOS mRNA CTD PMID:12730611 NCBI chr 6:109,300,433...109,303,299
Ensembl chr 6:109,300,433...109,303,299
JBrowse link
G Mapk1 mitogen activated protein kinase 1 multiple interactions ISO [Acebutolol binds to ADRB2 protein] which results in increased phosphorylation of MAPK1 protein CTD PMID:17925438 NCBI chr11:88,203,863...88,273,301
Ensembl chr11:88,211,599...88,273,254
JBrowse link
G Mapk3 mitogen activated protein kinase 3 multiple interactions ISO [Acebutolol binds to ADRB2 protein] which results in increased phosphorylation of MAPK3 protein CTD PMID:17925438 NCBI chr 1:198,192,773...198,198,975
Ensembl chr 1:198,192,773...198,198,975
JBrowse link
G Ren renin decreases activity ISO
EXP
Acebutolol results in decreased activity of REN protein CTD PMID:6110712, PMID:6118215 NCBI chr13:50,502,724...50,513,953
Ensembl chr13:50,502,724...50,514,151
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        pharmacological role 18797
          neurotransmitter agent 16425
            adrenergic agent 8935
              sympathomimetic agent 5406
                acebutolol 6
Path 2
Term Annotations click to browse term
  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
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        carboacyl group 17348
                                          univalent carboacyl group 17348
                                            carbamoyl group 17134
                                              carboxamide 17134
                                                monocarboxylic acid amide 14553
                                                  acebutolol 6
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