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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:(S)-duloxetine hydrochloride
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Accession:CHEBI:31526 term browser browse the term
Definition:A duloxetine hydrochloride in which the duloxetine moiety has S configuration.
Synonyms:exact_synonym: (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine hydrochloride
 related_synonym: (3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine hydrochloride;   Cymbalta;   Formula=C18H19NOS.HCl;   Formula=C18H20ClNOS;   InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1;   InChIKey=BFFSMCNJSOPUAY-LMOVPXPDSA-N;   SMILES=Cl.CNCC[C@H](Oc1cccc2ccccc12)c1cccs1;   duloxetine hydrochloride
 xref: Beilstein:8168890;   CAS:136434-34-9;   KEGG:D01179
 xref_mesh: MESH:D000068736
 xref: Reaxys:8168890


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(S)-duloxetine hydrochloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ar androgen receptor multiple interactions ISO Duloxetine Hydrochloride binds to and results in decreased activity of AR protein CTD PMID:25752796 NCBI chr  X:67,656,253...67,828,998
Ensembl chr  X:67,656,253...67,829,026
JBrowse link
G Cyp17a1 cytochrome P450, family 17, subfamily a, polypeptide 1 decreases activity
multiple interactions
ISO Duloxetine Hydrochloride results in decreased activity of CYP17A1 protein
Duloxetine Hydrochloride inhibits the reaction [[CYP17A1 protein results in increased hydroxylation of Pregnenolone] which results in increased chemical synthesis of 17-alpha-Hydroxypregnenolone]; Duloxetine Hydrochloride inhibits the reaction [[CYP17A1 protein results in increased hydroxylation of Progesterone] which results in increased chemical synthesis of 17-alpha-Hydroxyprogesterone]; Duloxetine Hydrochloride inhibits the reaction [[CYP17A1 protein results in increased metabolism of 17-alpha-Hydroxypregnenolone] which results in increased chemical synthesis of Dehydroepiandrosterone]; Duloxetine Hydrochloride inhibits the reaction [[CYP17A1 protein results in increased metabolism of 17-alpha-Hydroxyprogesterone] which results in increased chemical synthesis of Androstenedione]; Duloxetine Hydrochloride inhibits the reaction [CYP17A1 protein results in increased hydroxylation of Pregnenolone]; Duloxetine Hydrochloride inhibits the reaction [CYP17A1 protein results in increased hydroxylation of Progesterone]; Duloxetine Hydrochloride inhibits the reaction [CYP17A1 protein results in increased metabolism of 17-alpha-Hydroxypregnenolone]; Duloxetine Hydrochloride inhibits the reaction [CYP17A1 protein results in increased metabolism of 17-alpha-Hydroxyprogesterone]
CTD PMID:29100959 NCBI chr 1:266,422,127...266,429,947
Ensembl chr 1:266,422,132...266,428,239
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 multiple interactions EXP [furafylline results in decreased activity of CYP1A2 protein] which results in decreased glutathionylation of Duloxetine Hydrochloride; CYP1A2 protein results in increased activity of and results in increased glutathionylation of Duloxetine Hydrochloride CTD PMID:20669986 NCBI chr 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
JBrowse link
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 multiple interactions EXP [Quinidine results in decreased activity of CYP2D6 protein] which results in decreased glutathionylation of Duloxetine Hydrochloride; CYP2D6 protein results in increased activity of and results in increased glutathionylation of Duloxetine Hydrochloride CTD PMID:20669986 NCBI chr 7:123,599,264...123,608,436
Ensembl chr 7:123,599,266...123,608,436
JBrowse link
G Hmox1 heme oxygenase 1 increases expression ISO Duloxetine Hydrochloride results in increased expression of HMOX1 mRNA CTD PMID:29134401 NCBI chr19:14,508,634...14,515,455
Ensembl chr19:14,508,616...14,515,456
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO Duloxetine Hydrochloride results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
JBrowse link
G Kcnj3 potassium inwardly-rectifying channel, subfamily J, member 3 multiple interactions ISO Duloxetine Hydrochloride results in decreased activity of [KCNJ3 mRNA co-treated with KCNJ5 mRNA]; Duloxetine Hydrochloride results in decreased activity of [KCNJ3 mRNA co-treated with KCNJ6 mRNA] CTD PMID:22164246 NCBI chr 3:41,019,898...41,181,070
Ensembl chr 3:41,019,898...41,181,070
JBrowse link
G Kcnj5 potassium inwardly-rectifying channel, subfamily J, member 5 multiple interactions ISO Duloxetine Hydrochloride results in decreased activity of [KCNJ3 mRNA co-treated with KCNJ5 mRNA] CTD PMID:22164246 NCBI chr 8:33,435,493...33,463,410
Ensembl chr 8:33,433,905...33,463,467
JBrowse link
G Kcnj6 potassium inwardly-rectifying channel, subfamily J, member 6 multiple interactions ISO Duloxetine Hydrochloride results in decreased activity of [KCNJ3 mRNA co-treated with KCNJ6 mRNA] CTD PMID:22164246 NCBI chr11:35,011,007...35,262,362
Ensembl chr11:35,024,196...35,099,383
JBrowse link
G Nfe2l2 nuclear factor, erythroid 2-like 2 affects localization ISO Duloxetine Hydrochloride affects the localization of NFE2L2 protein CTD PMID:29134401 NCBI chr 3:62,497,568...62,525,146
Ensembl chr 3:62,497,571...62,524,996
JBrowse link
G Prl prolactin increases expression ISO Duloxetine Hydrochloride results in increased expression of PRL protein CTD PMID:17606668 NCBI chr17:39,814,236...39,824,299
Ensembl chr17:39,814,244...39,824,299
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        pharmaceutical 19275
          drug 19275
            central nervous system drug 16431
              psychotropic drug 15052
                antidepressant 3124
                  (S)-duloxetine hydrochloride 11
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic molecule 19488
                              organic cyclic compound 19285
                                organic heterocyclic compound 18410
                                  organosulfur heterocyclic compound 5834
                                    thiophenes 194
                                      duloxetine 11
                                        (S)-duloxetine 11
                                          (S)-duloxetine hydrochloride 11
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