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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 affects binding ISO Tiotropium Bromide binds to CHRM1 protein CTD PMID:21870878 NCBI chr 1:205,567,226...205,583,001
Ensembl chr 1:205,567,220...205,582,356 		JBrowse link
G Chrm2 cholinergic receptor, muscarinic 2 affects binding ISO Tiotropium Bromide binds to CHRM2 protein CTD PMID:21870878 NCBI chr 4:65,015,408...65,149,104
Ensembl chr 4:65,014,144...65,149,103 		JBrowse link
G Chrm3 cholinergic receptor, muscarinic 3 affects binding ISO Tiotropium Bromide binds to CHRM3 protein CTD PMID:21870878 NCBI chr17:60,005,137...60,467,250
Ensembl chr17:60,005,202...60,467,278 		JBrowse link
G Chrm4 cholinergic receptor, muscarinic 4 affects binding ISO Tiotropium Bromide binds to CHRM4 protein CTD PMID:21870878 NCBI chr 3:77,893,425...77,901,166
Ensembl chr 3:77,893,425...77,901,159 		JBrowse link
G Chrm5 cholinergic receptor, muscarinic 5 affects binding ISO Tiotropium Bromide binds to CHRM5 protein CTD PMID:21870878 NCBI chr 3:99,284,846...99,337,252
Ensembl chr 3:99,284,846...99,337,252 		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 chr17:22,454,924...22,460,812
Ensembl chr17:22,454,420...22,460,885 		JBrowse link
G Pon1 paraoxonase 1 decreases activity ISO Tiotropium Bromide results in decreased activity of PON1 protein CTD PMID:31581362 NCBI chr 4:33,294,737...33,325,759
Ensembl chr 4:33,294,722...33,321,360 		JBrowse link
G Tnf tumor necrosis factor decreases secretion ISO Tiotropium Bromide results in decreased secretion of TNF protein CTD PMID:21352583 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19869
      application 19713
        pharmaceutical 19548
          drug 19548
            bronchodilator agent 3820
              tiotropium bromide 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19669
                        hydrogen molecular entity 19651
                          hydrides 19162
                            inorganic hydride 18183
                              pnictogen hydride 18173
                                nitrogen hydride 18086
                                  ammonium 8325
                                    ammonium ion derivative 8320
                                      ammonium compound 5207
                                        organoammonium salt 672
                                          quaternary ammonium salt 554
                                            tiotropium bromide 8
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