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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:timolol
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Accession:CHEBI:39465 term browser browse the term
Definition:1,2,5-Thiadiazole substituted at the 3 position by a 3-(tert-butylamino)-2-hydroxypropoxy group and at the 4 position by a morpholin-4-yl group. The (S)-(-) enantiomer, also known as timolol, is a beta-adrenergic antagonist and is used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.
Synonyms:exact_synonym: 1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
 related_synonym: Formula=C13H24N4O3S;   InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3;   InChIKey=BLJRIMJGRPQVNF-UHFFFAOYSA-N;   SMILES=CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1
 alt_id: CHEBI:106362
 xref: Beilstein:555286;   DrugBank:DB00373;   HMDB:HMDB0014517;   LINCS:LSM-4397



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(S)-timolol (anhydrous) term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adrb1 adrenoceptor beta 1 multiple interactions ISO Timolol binds to and results in decreased activity of ADRB1 protein; Timolol inhibits the reaction [[CGP 12177 binds to ADRB1 protein] which results in increased abundance of Cyclic AMP] CTD PMID:11436944 PMID:15060759 NCBI chr 1:265,777,103...265,780,114 JBrowse link
G Adrb2 adrenoceptor beta 2 multiple interactions ISO [Timolol binds to ADRB2 protein] which results in decreased abundance of Cyclic AMP; Timolol binds to and results in decreased activity of ADRB2 protein CTD PMID:11436944 PMID:17925438 NCBI chr18:57,912,760...57,914,802 JBrowse link
G Aoc1 amine oxidase, copper containing 1 multiple interactions EXP Timolol inhibits the reaction [Epinephrine results in increased activity of AOC1 protein] CTD PMID:2860926 NCBI chr 4:79,143,126...79,162,705 JBrowse link
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 affects response to substance ISO CYP2D6 gene SNP affects the susceptibility to Timolol CTD PMID:19284319 PMID:20925579 NCBI chr 7:115,762,662...115,771,832 JBrowse link
G Mapk1 mitogen activated protein kinase 1 multiple interactions ISO
EXP
[Timolol co-treated with Phenylephrine] results in increased phosphorylation of and results in increased activity of MAPK1 protein; RGS3 protein affects the reaction [[Timolol co-treated with Phenylephrine] results in increased phosphorylation of and results in increased activity of MAPK1 protein]; RGS4 protein affects the reaction [[Timolol co-treated with Phenylephrine] results in increased phosphorylation of and results in increased activity of MAPK1 protein]
1,2-bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK1 protein]; 4-amino-5-(4-methylphenyl)-7-(tert-butyl)pyrazolo(3,4-d)pyrimidine inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK1 protein]; [Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK1 protein; AG 1879 inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased phosphorylation of MAPK1 protein]; Egtazic Acid inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK1 protein]; Gadolinium inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of MAPK1 protein]; N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK1 protein]; Trifluoperazine inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of MAPK1 protein]; W 7 inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK1 protein]
CTD PMID:11914123 PMID:18977218 NCBI chr11:97,462,025...97,529,193 JBrowse link
G Mapk3 mitogen activated protein kinase 3 multiple interactions ISO
EXP
[Timolol co-treated with Phenylephrine] results in increased phosphorylation of and results in increased activity of MAPK3 protein; RGS3 protein affects the reaction [[Timolol co-treated with Phenylephrine] results in increased phosphorylation of and results in increased activity of MAPK3 protein]; RGS4 protein affects the reaction [[Timolol co-treated with Phenylephrine] results in increased phosphorylation of and results in increased activity of MAPK3 protein]
1,2-bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK3 protein]; 4-amino-5-(4-methylphenyl)-7-(tert-butyl)pyrazolo(3,4-d)pyrimidine inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK3 protein]; [Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK3 protein; AG 1879 inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased phosphorylation of MAPK3 protein]; Egtazic Acid inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK3 protein]; Gadolinium inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of MAPK3 protein]; N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK3 protein]; Trifluoperazine inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of MAPK3 protein]; W 7 inhibits the reaction [[Norepinephrine co-treated with Timolol] results in increased activity of and results in increased phosphorylation of MAPK3 protein]
CTD PMID:11914123 PMID:18977218 NCBI chr 1:190,797,189...190,803,411 JBrowse link
G Rgs3 regulator of G-protein signaling 3 multiple interactions ISO RGS3 protein affects the reaction [[Timolol co-treated with Phenylephrine] results in increased phosphorylation of and results in increased activity of MAPK1 protein]; RGS3 protein affects the reaction [[Timolol co-treated with Phenylephrine] results in increased phosphorylation of and results in increased activity of MAPK3 protein] CTD PMID:18977218 NCBI chr 5:76,022,038...76,161,895 JBrowse link
G Rgs4 regulator of G-protein signaling 4 multiple interactions ISO RGS4 protein affects the reaction [[Timolol co-treated with Phenylephrine] results in increased phosphorylation of and results in increased activity of MAPK1 protein]; RGS4 protein affects the reaction [[Timolol co-treated with Phenylephrine] results in increased phosphorylation of and results in increased activity of MAPK3 protein] CTD PMID:18977218 NCBI chr13:81,936,775...81,943,103 JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    chemical entity 19896
      molecular entity 19895
        mancude ring 11342
          organic mancude parent 11342
            mancude organic heterocyclic parent 11342
              mancude organic heteromonocyclic parent 6787
                thiadiazole 1802
                  1,2,5-thiadiazole 8
                    timolol 8
                      (R)-timolol 0
                      (S)-timolol (anhydrous) + 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            organic molecule 19724
                              organic cyclic compound 19516
                                organic heterocyclic compound 18896
                                  organic heteromonocyclic compound 17821
                                    mancude organic heteromonocyclic parent 6787
                                      thiadiazole 1802
                                        1,2,5-thiadiazole 8
                                          timolol 8
                                            (R)-timolol 0
                                            (S)-timolol (anhydrous) + 8
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