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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 3:55,480,024...55,587,946
Ensembl chr 3:55,480,024...55,587,946
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 4:22,133,984...22,192,687
Ensembl chr 4:22,133,521...22,425,515
JBrowse link
G Ces2h carboxylesterase 2H increases hydrolysis ISO CES2 protein results in increased hydrolysis of oxybutynin CTD PMID:9300133 NCBI chr19:37,052,555...37,067,176
Ensembl chr19:37,052,556...37,067,156
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 4:64,089,028...64,091,090
Ensembl chr 4:64,088,900...64,091,090
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 chr17:63,990,599...64,463,222
Ensembl chr17:63,990,599...63,994,169
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 NCBI chr 1:147,236,480...147,307,988 JBrowse link
G Drd2 dopamine receptor D2 affects binding ISO oxybutynin binds to DRD2 protein CTD PMID:10888308 NCBI chr 8:53,678,777...53,743,643
Ensembl chr 8:53,678,777...53,743,642
JBrowse link
G Il24 interleukin 24 decreases expression ISO oxybutynin results in decreased expression of IL24 mRNA CTD PMID:32816093 NCBI chr13:47,618,451...47,623,849
Ensembl chr13:47,618,452...47,623,849
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 5:114,011,184...114,014,277
Ensembl chr 5:114,011,189...114,014,277
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 4:44,747,467...44,854,628
Ensembl chr 4:44,774,741...44,852,665
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 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
JBrowse link
G Slpi secretory leukocyte peptidase inhibitor increases expression ISO oxybutynin results in increased expression of SLPI mRNA CTD PMID:32816093 NCBI chr 3:160,799,979...160,802,228
Ensembl chr 3:160,799,981...160,802,433
JBrowse link

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  CHEBI ontology 19773
    role 19719
      application 19403
        pharmaceutical 19303
          drug 19303
            anaesthetic 5309
              local anaesthetic 3087
                esoxybutynin 12
                  esoxybutynin chloride 0
                  oxybutynin + 12
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    main group molecular entity 19662
                      s-block molecular entity 19426
                        hydrogen molecular entity 19420
                          hydrides 18753
                            inorganic hydride 17457
                              pnictogen hydride 17433
                                nitrogen hydride 17280
                                  azane 17015
                                    ammonia 17014
                                      organic amino compound 17013
                                        tertiary amino compound 8671
                                          4-(diethylamino)but-2-yn-1-ol 12
                                            esoxybutynin 12
                                              esoxybutynin chloride 0
                                              oxybutynin + 12
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