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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:betaxolol
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Accession:CHEBI:3082 term browser browse the term
Definition:A propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydoxy is substituted by a 4-[2-(cyclopropylmethoxy)ethyl]phenyl group and one of the hydrogens attached to the amino group is substituted by isopropyl. It is a selective beta1-receptor blocker and is used in the treatment of glaucoma as well as hypertension, arrhythmias, and coronary heart disease. It is also used to reduce non-fatal cardiac events in patients with heart failure.
Synonyms:exact_synonym: 1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol
 related_synonym: 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-2-propanol;   1-(isopropylamino)-3-[p-(cyclopropylmethoxyethyl)phenoxy]-2-propanol;   Formula=C18H29NO3;   InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;   InChIKey=NWIUTZDMDHAVTP-UHFFFAOYSA-N;   SMILES=CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1;   betaxololum
 alt_id: CHEBI:101354
 xref: Beilstein:1991268;   CAS:63659-18-7;   DrugBank:DB00195;   Drug_Central:356;   HMDB:HMDB0014341;   KEGG:C06849;   KEGG:D07526;   LINCS:LSM-1255
 xref_mesh: MESH:D015784
 xref: PMID:10891117;   PMID:1361581;   PMID:14971904;   PMID:15993593;   PMID:1865331;   PMID:2569884;   Patent:DE2649605;   Patent:US4252984;   Reaxys:1991268;   Wikipedia:Betaxolol

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betaxolol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adrb1 adrenoceptor beta 1 multiple interactions
affects binding		 EXP
ISO		 Betaxolol affects the reaction [Cocaine affects the expression of ADRB1 protein]; Betaxolol inhibits the reaction [Cocaine affects the expression of ADRB1 protein]
Betaxolol binds to ADRB1 protein
Betaxolol binds to and results in decreased activity of ADRB1 protein		 CTD PMID:10372227, PMID:11436944, PMID:17513029, PMID:18596687 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 [Betaxolol binds to ADRB2 protein] which results in decreased abundance of Cyclic AMP; Betaxolol binds to and results in decreased activity of ADRB2 protein CTD PMID:11436944, PMID:17925438 NCBI chr18:57,513,792...57,515,834
Ensembl chr18:57,513,793...57,515,834 		JBrowse link
G Creb1 cAMP responsive element binding protein 1 multiple interactions EXP Betaxolol affects the reaction [Cocaine affects the phosphorylation of CREB1 protein] CTD PMID:18596687 NCBI chr 9:71,229,753...71,298,994
Ensembl chr 9:71,230,108...71,293,435 		JBrowse link
G Crh corticotropin releasing hormone multiple interactions EXP Betaxolol affects the reaction [Cocaine affects the expression of CRH mRNA] CTD PMID:18596687 NCBI chr 2:104,459,999...104,461,863
Ensembl chr 2:104,459,999...104,461,863 		JBrowse link
G Nppa natriuretic peptide A decreases expression EXP Betaxolol results in decreased expression of NPPA mRNA; Betaxolol results in decreased expression of NPPA protein CTD PMID:12693380 NCBI chr 5:164,808,407...164,809,716
Ensembl chr 5:164,808,323...164,809,705 		JBrowse link
G Nppb natriuretic peptide B decreases expression EXP Betaxolol results in decreased expression of NPPB mRNA CTD PMID:12693380 NCBI chr 5:164,796,176...164,797,538
Ensembl chr 5:164,796,185...164,797,531 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        pharmaceutical 19275
          drug 19275
            cardiovascular drug 7613
              antihypertensive agent 1676
                betaxolol 6
                  (R)-betaxolol 0
                  (S)-betaxolol 0
                  betaxolol hydrochloride + 0
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
                    main group molecular entity 19672
                      s-block molecular entity 19430
                        hydrogen molecular entity 19420
                          hydrides 18686
                            inorganic hydride 17411
                              pnictogen hydride 17383
                                nitrogen hydride 17224
                                  azane 16941
                                    ammonia 16940
                                      organic amino compound 16939
                                        amino alcohol 882
                                          propanolamine 169
                                            betaxolol 6
                                              (R)-betaxolol 0
                                              (S)-betaxolol 0
                                              betaxolol hydrochloride + 0
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