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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 1:255,771,962...255,774,973
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
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      biological role 19815
        pharmacological role 19058
          neurotransmitter agent 16741
            adrenergic agent 9184
              sympathomimetic agent 5581
                acebutolol 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            heteroorganic entity 19492
                              organochalcogen compound 19255
                                organooxygen compound 19172
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      carboacyl group 17698
                                        univalent carboacyl group 17698
                                          carbamoyl group 17548
                                            carboxamide 17548
                                              monocarboxylic acid amide 15680
                                                acebutolol 6
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