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ONTOLOGY REPORT - ANNOTATIONS


Term:(S)-timolol (anhydrous)
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Accession:CHEBI:9599 term browser browse the term
Definition:The (S)-(-) (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.
Synonyms:exact_synonym: (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
 related_synonym: (-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole;   (2S)-1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol;   (S)-1-(1,1-(dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol;   (S)-1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol;   (S)-1-tert-Butylamino-3-(4-morpholin-4-yl-[1,2,5]thiadiazol-3-yloxy)-propan-2-ol;   (S)-timolol;   1-(tert-butylamino)-3-[4-(1,4-oxazinan-4-yl)-1,2,5-thiadiazol-3-yloxy]-(2S)-propan-2-ol;   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/t10-/m0/s1;   InChIKey=BLJRIMJGRPQVNF-JTQLQIEISA-N;   S-(-)-3-(3-tert-butylamino-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole;   SMILES=CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1;   Timolol
 alt_id: CHEBI:108311;   CHEBI:108531
 xref: Beilstein:1084707 "Beilstein";   CAS:26839-75-8 "ChemIDplus";   CAS:26839-75-8 "KEGG COMPOUND";   DrugBank:DB00373;   Drug_Central:4061 "DrugCentral";   KEGG:C07141;   KEGG:D08600;   LINCS:LSM-2176
 xref_mesh: MESH:D013999
 xref: PDBeChem:TIM;   PMID:10891117 "ChEMBL";   PMID:11300874 "ChEMBL";   PMID:11728183 "ChEMBL";   PMID:11784135 "ChEMBL";   PMID:14971904 "ChEMBL";   PMID:15027870 "ChEMBL";   PMID:15857133 "ChEMBL";   PMID:1635066 "ChEMBL";   PMID:2002467 "ChEMBL";   PMID:2579237 "ChEMBL";   PMID:2872332 "ChEMBL";   PMID:2892933 "ChEMBL";   PMID:2903243 "ChEMBL";   PMID:6094812 "ChEMBL";   PMID:6109024 "ChEMBL";   PMID:6113285 "ChEMBL";   PMID:6126588 "ChEMBL";   PMID:6134834 "ChEMBL";   PMID:8568799 "ChEMBL";   PMID:9288160 "ChEMBL";   Patent:DE1925956;   Patent:DE2915955;   Patent:US3655663;   Patent:US3657237;   Reaxys:1084707 "Reaxys";   Wikipedia:Timolol
 cyclic_relationship: is_enantiomer_of CHEBI:39466


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(S)-timolol (anhydrous) term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Adrb1 adrenoceptor beta 1 JBrowse link 1 277,537,585 277,538,985 RGD:6480464
G Adrb2 adrenoceptor beta 2 JBrowse link 18 57,513,792 57,515,834 RGD:6480464
G Aoc1 amine oxidase, copper containing 1 JBrowse link 4 78,496,043 78,515,582 RGD:6480464
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 JBrowse link 7 123,599,264 123,608,436 RGD:6480464
G Mapk1 mitogen activated protein kinase 1 JBrowse link 11 88,203,863 88,273,301 RGD:6480464
G Mapk3 mitogen activated protein kinase 3 JBrowse link 1 198,192,773 198,198,975 RGD:6480464
G Rgs3 regulator of G-protein signaling 3 JBrowse link 5 78,429,017 78,567,281 RGD:6480464
G Rgs4 regulator of G-protein signaling 4 JBrowse link 13 88,054,817 88,061,108 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19669
    role 19613
      application 19235
        pharmaceutical 19097
          drug 19097
            cardiovascular drug 7550
              antihypertensive agent 1637
                (S)-timolol (anhydrous) 8
                  (S)-timolol hemihydrate 0
                  (S)-timolol maleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic molecule 19343
                              organic cyclic compound 19093
                                organic heterocyclic compound 18157
                                  organic heteromonocyclic compound 16249
                                    mancude organic heteromonocyclic parent 4188
                                      thiadiazole 74
                                        1,2,5-thiadiazole 8
                                          timolol 8
                                            (S)-timolol (anhydrous) 8
                                              (S)-timolol hemihydrate 0
                                              (S)-timolol maleate 0
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