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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 4:65,015,408...65,149,104
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 chr17:60,005,137...60,467,250
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 4:10,826,834...10,859,009
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 19808
    role 19784
      biological role 19782
        pharmacological role 19026
          neurotransmitter agent 16722
            cholinergic drug 5333
              cholinergic antagonist 4284
                muscarinic antagonist 1572
                  darifenacin 3
                    darifenacin hydrobromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  carbon oxoacid 18612
                                    carboxylic acid 18609
                                      carboacyl group 17677
                                        univalent carboacyl group 17677
                                          carbamoyl group 17526
                                            carboxamide 17526
                                              monocarboxylic acid amide 15662
                                                darifenacin 3
                                                  darifenacin hydrobromide 0
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