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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 hydrochloride
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Accession:CHEBI:36808 term browser browse the term
Definition:A hydrochloride that has formula C18H20ClNOS.
Synonyms:exact_synonym: N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine hydrochloride
 related_synonym: 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;   InChIKey=BFFSMCNJSOPUAY-UHFFFAOYSA-N;   N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine hydrochloride;   SMILES=Cl.CNCCC(Oc1cccc2ccccc12)c1cccs1



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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 Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 decreases activity ISO Duloxetine Hydrochloride results in decreased activity of CYP1A1 protein CTD PMID:33814510 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
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 Cyp1b1 cytochrome P450, family 1, subfamily b, polypeptide 1 decreases activity ISO Duloxetine Hydrochloride results in decreased activity of CYP1B1 protein CTD PMID:33814510 NCBI chr 6:15,342,312...15,350,886
Ensembl chr 6:15,342,344...15,350,917
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 NFE2 like bZIP transcription factor 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

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20050
    role 20001
      biological role 20000
        biochemical role 19624
          cofactor 15871
            chloride 8456
              chloride salt 8456
                organic chloride salt 925
                  hydrochloride 694
                    duloxetine hydrochloride 13
                      (R)-duloxetine hydrochloride 0
                      (S)-duloxetine hydrochloride 13
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic molecule 19809
                              organic cyclic compound 19572
                                organic heterocyclic compound 18799
                                  organosulfur heterocyclic compound 6123
                                    thiophenes 204
                                      duloxetine 13
                                        duloxetine hydrochloride 13
                                          (R)-duloxetine hydrochloride 0
                                          (S)-duloxetine hydrochloride 13
paths to the root