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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 1:265,777,103...265,780,114
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 chr18:57,912,760...57,914,802
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 6:110,852,188...110,855,054
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 chr11:97,462,025...97,529,193
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 1:190,797,189...190,803,411
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 chr13:47,348,312...47,359,539
Ensembl chr13:44,796,091...44,807,489
JBrowse link

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  CHEBI ontology 19899
    role 19870
      biological role 19868
        pharmacological role 19105
          neurotransmitter agent 16812
            adrenergic agent 9193
              sympathomimetic agent 5606
                acebutolol 6
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  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19537
                              organochalcogen compound 19297
                                organooxygen compound 19215
                                  carbon oxoacid 18693
                                    carboxylic acid 18690
                                      carboacyl group 17730
                                        univalent carboacyl group 17730
                                          carbamoyl group 17575
                                            carboxamide 17575
                                              monocarboxylic acid amide 15750
                                                acebutolol 6
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