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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 1:255,772,217...255,773,617
Ensembl chr 1:255,771,597...255,807,259
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 chr18:55,642,459...55,644,501
Ensembl chr18:55,502,903...55,644,512
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 6:105,121,170...105,124,036
Ensembl chr 6:105,121,170...105,124,036
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 chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616
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 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
JBrowse link
G Ren renin decreases activity ISO
EXP
Acebutolol results in decreased activity of REN protein CTD PMID:6110712 PMID:6118215 NCBI chr13:44,796,260...44,807,491
Ensembl chr13:44,796,091...44,807,489
JBrowse link

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  CHEBI ontology 19812
    role 19761
      biological role 19761
        pharmacological role 18842
          neurotransmitter agent 16452
            adrenergic agent 8968
              sympathomimetic agent 5447
                acebutolol 6
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  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic group 18728
                              organic divalent group 18719
                                organodiyl group 18719
                                  carbonyl group 18667
                                    carbonyl compound 18667
                                      carboxylic acid 18364
                                        carboacyl group 17482
                                          univalent carboacyl group 17482
                                            carbamoyl group 17298
                                              carboxamide 17298
                                                monocarboxylic acid amide 15014
                                                  acebutolol 6
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