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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:duloxetine
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Accession:CHEBI:36796 term browser browse the term
Definition:A thiophene that has formula C18H19NOS.
Synonyms:exact_synonym: N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine
 related_synonym: Formula=C18H19NOS;   InChI=1S/C18H19NOS/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;   InChIKey=ZEUITGRIYCTCEM-UHFFFAOYSA-N;   N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine;   SMILES=CNCCC(Oc1cccc2ccccc12)c1cccs1
 xref: Beilstein:8842375;   CAS:116539-58-3
 xref_mesh: MESH:C058218
 xref: PMID:20825390


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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 19773
    role 19719
      biological role 19719
        biochemical role 19312
          enzyme inhibitor 18227
            EC 3.* (hydrolase) inhibitor 17687
              EC 3.4.* (hydrolases acting on peptide bond) inhibitor 3256
                EC 3.4.21.* (serine endopeptidase) inhibitor 1596
                  EC 3.4.21.26 (prolyl oligopeptidase) inhibitor 1513
                    duloxetine 11
                      (R)-duloxetine + 0
                      (S)-duloxetine + 11
                      duloxetine hydrochloride + 11
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
                    p-block element atom 19662
                      carbon group element atom 19579
                        carbon atom 19569
                          organic molecular entity 19569
                            organic molecule 19502
                              organic cyclic compound 19329
                                organic heterocyclic compound 18544
                                  organosulfur heterocyclic compound 5857
                                    thiophenes 200
                                      duloxetine 11
                                        (R)-duloxetine + 0
                                        (S)-duloxetine + 11
                                        duloxetine hydrochloride + 11
paths to the root