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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 19800
    role 19751
      biological role 19751
        pharmacological role 18837
          neurotransmitter agent 16451
            cholinergic drug 4869
              cholinergic antagonist 3794
                muscarinic antagonist 1059
                  darifenacin 3
                    darifenacin hydrobromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      carboxylic acid 18346
                                        carboacyl group 17469
                                          univalent carboacyl group 17469
                                            carbamoyl group 17285
                                              carboxamide 17285
                                                monocarboxylic acid amide 15010
                                                  darifenacin 3
                                                    darifenacin hydrobromide 0
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