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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 19832
    role 19808
      application 19651
        pharmaceutical 19492
          drug 19492
            bronchodilator agent 3819
              tiotropium bromide 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19832
    subatomic particle 19830
      composite particle 19830
        hadron 19830
          baryon 19830
            nucleon 19830
              atomic nucleus 19830
                atom 19830
                  main group element atom 19780
                    main group molecular entity 19780
                      s-block molecular entity 19618
                        hydrogen molecular entity 19605
                          hydrides 19104
                            inorganic hydride 18115
                              pnictogen hydride 18104
                                nitrogen hydride 18011
                                  ammonium 8309
                                    ammonium ion derivative 8304
                                      ammonium compound 5193
                                        organoammonium salt 655
                                          quaternary ammonium salt 537
                                            tiotropium bromide 8
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