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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:bevantolol
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Accession:CHEBI:238698 term browser browse the term
Definition:A propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by 3-methylphenyl and one of the hydrogens attached to the nitrogen is substituted by 2-(3,4-dimethoxyphenyl)ethyl. A beta1 adrenoceptor antagonist, it has been shown to be as effective as other beta-blockers for the treatment of angina pectoris and hypertension.
Synonyms:exact_synonym: 1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol
 related_synonym: 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-2-propanol;   1-(3,4-dimethoxyphenethylamino)-3-(m-tolyloxy)-2-propanol;   1-(3,4-dimethoxyphenethylamino)-3-m-tolyloxy-propan-2-ol;   1-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-3-m-tolyloxy-propan-2-ol;   Formula=C20H27NO4;   InChI=1S/C20H27NO4/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;   InChIKey=HXLAFSUPPDYFEO-UHFFFAOYSA-N;   SMILES=COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC;   bevantololum
 xref: Beilstein:2769444;   CAS:59170-23-9;   DrugBank:DB01295;   Drug_Central:360
 xref_mesh: MESH:C021148
 xref: PMID:2871781;   PMID:2894292;   Patent:BE790165;   Patent:US3857891;   Patent:US4994618;   Reaxys:2769444


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bevantolol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adrb1 adrenoceptor beta 1 decreases expression EXP bevantolol results in decreased expression of ADRB1 mRNA CTD PMID:17628611 NCBI chr 1:255,772,217...255,773,617
Ensembl chr 1:255,771,597...255,807,259
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      application 19481
        pharmaceutical 19329
          drug 19329
            cardiovascular drug 7683
              anti-arrhythmia drug 956
                bevantolol 1
                  (R)-bevantolol 0
                  (S)-bevantolol 0
                  bevantolol hydrochloride + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    main group molecular entity 19716
                      s-block molecular entity 19502
                        hydrogen molecular entity 19498
                          hydrides 18852
                            inorganic hydride 17691
                              pnictogen hydride 17672
                                nitrogen hydride 17545
                                  azane 17279
                                    ammonia 17278
                                      organic amino compound 17278
                                        amino alcohol 1032
                                          propanolamine 172
                                            bevantolol 1
                                              (R)-bevantolol 0
                                              (S)-bevantolol 0
                                              bevantolol hydrochloride + 0
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