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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:darifenacin
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Accession:CHEBI:391960 term browser browse the term
Definition:2-[(3S)-1-Ethylpyrrolidin-3-yl]-2,2-diphenylacetamide in which one of the hydrogens at the 2-position of the ethyl group is substituted by a 2,3-dihydro-1-benzofuran-5-yl group. It is a selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, and is used as the hydrobromide salt in the management of urinary incontinence.
Synonyms:exact_synonym: 2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide
 related_synonym: (S)-1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-3-pyrrolidineacetamide;   Formula=C28H30N2O2;   InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1;   InChIKey=HXGBXQDTNZMWGS-RUZDIDTESA-N;   SMILES=[H][C@]1(CCN(CCc2ccc3OCCc3c2)C1)C(C(N)=O)(c1ccccc1)c1ccccc1
 xref: Beilstein:8449641;   CAS:133099-04-4;   DrugBank:DB00496;   Drug_Central:784;   KEGG:D03654;   LINCS:LSM-5995
 xref_mesh: MESH:C101207
 xref: PMID:11831911;   PMID:14616424;   Wikipedia:Darifenacin


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darifenacin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Chrm2 cholinergic receptor, muscarinic 2 multiple interactions ISO darifenacin binds to and results in decreased activity of CHRM2 protein CTD PMID:15140916 NCBI chr 4:65,981,136...66,116,128
Ensembl chr 4:65,014,144...65,149,103 		JBrowse link
G Chrm3 cholinergic receptor, muscarinic 3 multiple interactions ISO darifenacin binds to and results in decreased activity of CHRM3 protein CTD PMID:11488427 PMID:15140916 NCBI chr17:64,696,549...65,158,622
Ensembl chr17:60,005,202...60,467,278 		JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO darifenacin results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:11,719,357...11,751,424
Ensembl chr 4:10,826,928...10,859,008 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19870
      biological role 19868
        pharmacological role 19105
          neurotransmitter agent 16812
            cholinergic drug 5368
              cholinergic antagonist 4322
                muscarinic antagonist 1580
                  darifenacin 3
                    darifenacin hydrobromide 0
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 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19537
                              organochalcogen compound 19297
                                organooxygen compound 19215
                                  carbon oxoacid 18693
                                    carboxylic acid 18690
                                      carboacyl group 17730
                                        univalent carboacyl group 17730
                                          carbamoyl group 17575
                                            carboxamide 17575
                                              monocarboxylic acid amide 15750
                                                darifenacin 3
                                                  darifenacin hydrobromide 0
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