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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:tiotropium bromide
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Accession:CHEBI:90959 term browser browse the term
Definition:An organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.
Synonyms:related_synonym: (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane bromide;   7-((Hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane bromide;   BA 679 BR;   BA 679BR;   Formula=C19H22BrNO4S2;   InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12-,13+,16-,17+;;   InChIKey=DQHNAVOVODVIMG-FOGIBKMMSA-M;   SMILES=O([C@H]1C[C@]2([C@@H]3O[C@@H]3[C@](C1)([H])[N+]2(C)C)[H])C(C(C4=CC=CS4)(C=5SC=CC5)O)=O.[Br-]
 xref: CAS:136310-93-5
 xref_mesh: MESH:D000069447
 xref: PMID:16357953;   PMID:19281093;   PMID:20508873;   PMID:20856827;   PMID:26604737;   PMID:26692823;   PMID:26756006;   Reaxys:11069044;   Wikipedia:Tiotropium_bromide


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tiotropium bromide term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Chrm1 cholinergic receptor, muscarinic 1, CNS affects binding ISO Tiotropium Bromide binds to CHRM1 protein CTD PMID:21870878 NCBI chr19:8,641,369...8,660,970
Ensembl chr19:8,641,153...8,660,951 		JBrowse link
G Chrm2 cholinergic receptor, muscarinic 2, cardiac affects binding ISO Tiotropium Bromide binds to CHRM2 protein CTD PMID:21870878 NCBI chr 6:36,364,928...36,505,573
Ensembl chr 6:36,365,019...36,505,349 		JBrowse link
G Chrm3 cholinergic receptor, muscarinic 3, cardiac affects binding ISO Tiotropium Bromide binds to CHRM3 protein CTD PMID:21870878 NCBI chr13:9,925,522...10,411,131
Ensembl chr13:9,925,522...10,410,883 		JBrowse link
G Chrm4 cholinergic receptor, muscarinic 4 affects binding ISO Tiotropium Bromide binds to CHRM4 protein CTD PMID:21870878 NCBI chr 2:91,752,531...91,760,180
Ensembl chr 2:91,757,594...91,759,033 		JBrowse link
G Chrm5 cholinergic receptor, muscarinic 5 affects binding ISO Tiotropium Bromide binds to CHRM5 protein CTD PMID:21870878 NCBI chr 2:112,306,055...112,365,487
Ensembl chr 2:112,309,516...112,311,114 		JBrowse link
G Edn1 endothelin 1 multiple interactions ISO Tiotropium Bromide inhibits the reaction [Oxotremorine results in increased expression of EDN1 mRNA] CTD PMID:22796455 NCBI chr13:42,454,952...42,461,466
Ensembl chr13:42,454,952...42,461,466 		JBrowse link
G Pon1 paraoxonase 1 decreases activity ISO Tiotropium Bromide results in decreased activity of PON1 protein CTD PMID:31581362 NCBI chr 6:5,168,101...5,193,824
Ensembl chr 6:5,168,090...5,193,946 		JBrowse link
G Tnf tumor necrosis factor decreases secretion ISO Tiotropium Bromide results in decreased secretion of TNF protein CTD PMID:21352583 NCBI chr17:35,418,343...35,420,983
Ensembl chr17:35,418,357...35,420,983 		JBrowse link
Term paths to the root
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Term Annotations click to browse term
  CHEBI ontology 22308
    role 22292
      application 21910
        pharmaceutical 21266
          drug 21266
            bronchodilator agent 3810
              tiotropium bromide 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 22308
    subatomic particle 22302
      composite particle 22302
        hadron 22302
          baryon 22302
            nucleon 22302
              atomic nucleus 22302
                atom 22302
                  main group element atom 22183
                    main group molecular entity 22183
                      s-block molecular entity 21773
                        hydrogen molecular entity 21687
                          hydrides 20792
                            inorganic hydride 18727
                              pnictogen hydride 18708
                                nitrogen hydride 18583
                                  ammonium 8220
                                    ammonium ion derivative 8215
                                      ammonium compound 4999
                                        organoammonium salt 697
                                          quaternary ammonium salt 581
                                            tiotropium bromide 8
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