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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:63,104,771...63,273,934
Ensembl chr  X:63,104,771...63,273,925
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 1:245,535,462...245,543,148
Ensembl chr 1:245,535,462...245,541,573
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 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
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 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759
JBrowse link
G Hmox1 heme oxygenase 1 increases expression ISO Duloxetine Hydrochloride results in increased expression of HMOX1 mRNA CTD PMID:29134401 NCBI chr19:13,466,287...13,474,082
Ensembl chr19:13,467,244...13,474,079
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 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008
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 3:39,944,896...40,106,646
Ensembl chr 3:39,945,351...40,109,124
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 8:30,724,923...30,753,083
Ensembl chr 8:30,724,925...30,753,518
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 chr11:34,061,705...34,309,128
Ensembl chr11:34,061,708...34,308,758
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 3:60,594,239...60,621,785
Ensembl chr 3:60,594,242...60,621,737
JBrowse link
G Prl prolactin increases expression ISO Duloxetine Hydrochloride results in increased expression of PRL protein CTD PMID:17606668 NCBI chr17:37,859,999...37,870,062
Ensembl chr17:37,860,007...37,870,062
JBrowse link

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  CHEBI ontology 19821
    role 19769
      application 19481
        pharmaceutical 19329
          drug 19329
            central nervous system drug 16522
              psychotropic drug 15171
                antidepressant 3651
                  (S)-duloxetine hydrochloride 11
Path 2
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  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic molecule 19569
                              organic cyclic compound 19360
                                organic heterocyclic compound 18591
                                  organosulfur heterocyclic compound 6095
                                    thiophenes 201
                                      duloxetine 11
                                        (S)-duloxetine 11
                                          (S)-duloxetine hydrochloride 11
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