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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:esoxybutynin
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Accession:CHEBI:51329 term browser browse the term
Definition:A 4-(diethylamino)but-2-yn-1-ol yhat has S configuration. In contrast to the (R)- enantiomer, esoxybutynin exhibits essentially no anticholinergic activity.
Synonyms:exact_synonym: 4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetate
 related_synonym: (+)-oxybutynin;   (S)-oxybutynin;   Formula=C22H31NO3;   InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m1/s1;   InChIKey=XIQVNETUBQGFHX-JOCHJYFZSA-N;   SMILES=C1(CCCCC1)[C@](C2=CC=CC=C2)(C(OCC#CCN(CC)CC)=O)O;   esoxibutinina;   esoxybutynine;   esoxybutyninum
 xref: CAS:119618-22-3;   PMID:10987980;   PMID:12001823;   PMID:12431028;   PMID:24036364;   PMID:25215879;   PMID:26852022
 cyclic_relationship: is_enantiomer_of CHEBI:144552


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oxybutynin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb11 ATP binding cassette subfamily B member 11 decreases activity ISO oxybutynin results in decreased activity of ABCB11 protein CTD PMID:20829430 PMID:28437613 NCBI chr 3:54,016,854...54,112,797
Ensembl chr 3:54,017,127...54,112,730 		JBrowse link
G Abcb4 ATP binding cassette subfamily B member 4 decreases activity ISO oxybutynin results in decreased activity of ABCB4 protein CTD PMID:28437613 NCBI chr 4:25,150,998...25,209,489
Ensembl chr 4:25,151,953...25,209,202 		JBrowse link
G Ces2h carboxylesterase 2H increases hydrolysis ISO CES2 protein results in increased hydrolysis of oxybutynin CTD PMID:9300133 NCBI chr19:32,974,242...32,988,842
Ensembl chr19:32,974,242...32,988,830 		JBrowse link
G Chrm2 cholinergic receptor, muscarinic 2 multiple interactions ISO oxybutynin 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 oxybutynin binds to and results in decreased activity of CHRM3 protein CTD PMID:15140916 NCBI chr17:60,005,137...60,467,250
Ensembl chr17:60,005,202...60,467,278 		JBrowse link
G Cyp2c79 cytochrome P450, family 2, subfamily c, polypeptide 79 decreases activity ISO oxybutynin results in decreased activity of CYP2C8 protein CTD PMID:15601807
G Drd2 dopamine receptor D2 affects binding ISO oxybutynin binds to DRD2 protein CTD PMID:10888308 NCBI chr 8:49,708,927...49,772,876
Ensembl chr 8:49,708,927...49,772,875 		JBrowse link
G Il24 interleukin 24 decreases expression ISO oxybutynin results in decreased expression of IL24 mRNA CTD PMID:32816093 NCBI chr13:42,353,089...42,358,487
Ensembl chr13:42,353,090...42,358,487 		JBrowse link
G Jun Jun proto-oncogene, AP-1 transcription factor subunit decreases expression EXP oxybutynin results in decreased expression of JUN mRNA CTD PMID:10458442 NCBI chr 5:109,894,175...109,897,268
Ensembl chr 5:109,893,145...109,897,656 		JBrowse link
G Met MET proto-oncogene, receptor tyrosine kinase decreases expression ISO oxybutynin results in decreased expression of MET mRNA CTD PMID:32816093 NCBI chr 4:45,790,456...45,898,139
Ensembl chr 4:45,790,791...45,897,876 		JBrowse link
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO oxybutynin inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268 		JBrowse link
G Slpi secretory leukocyte peptidase inhibitor increases expression ISO oxybutynin results in increased expression of SLPI mRNA CTD PMID:32816093 NCBI chr 3:153,082,208...153,084,457
Ensembl chr 3:153,082,369...153,084,453 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19911
    role 19886
      biological role 19884
        pharmacological role 19103
          antagonist 17167
            calcium channel blocker 7138
              esoxybutynin 12
                esoxybutynin chloride 0
                oxybutynin + 12
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19909
          baryon 19909
            nucleon 19909
              atomic nucleus 19909
                atom 19909
                  main group element atom 19856
                    main group molecular entity 19856
                      s-block molecular entity 19687
                        hydrogen molecular entity 19676
                          hydrides 19153
                            inorganic hydride 18131
                              pnictogen hydride 18120
                                nitrogen hydride 18026
                                  azane 17825
                                    ammonia 17824
                                      organic amino compound 17824
                                        tertiary amino compound 10136
                                          4-(diethylamino)but-2-yn-1-ol 12
                                            esoxybutynin 12
                                              esoxybutynin chloride 0
                                              oxybutynin + 12
paths to the root