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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 Akt1 AKT serine/threonine kinase 1 multiple interactions EXP Duloxetine Hydrochloride inhibits the reaction [Indomethacin results in decreased phosphorylation of AKT1 protein] CTD PMID:38701902 NCBI chr 6:131,713,716...131,735,319
Ensembl chr 6:131,713,720...131,733,921 		JBrowse link
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 Cd48 Cd48 molecule multiple interactions EXP Duloxetine Hydrochloride inhibits the reaction [Indomethacin results in increased expression of CD48 protein] CTD PMID:38701902 NCBI chr13:84,184,884...84,209,144
Ensembl chr13:84,185,532...84,209,142 		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 Il1a interleukin 1 alpha multiple interactions EXP Duloxetine Hydrochloride inhibits the reaction [Indomethacin results in increased expression of IL1A protein] CTD PMID:38701902 NCBI chr 3:116,526,601...116,537,055
Ensembl chr 3:116,526,604...116,536,822 		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 chr11:34,061,702...34,308,758
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...60,621,712
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
G Vegfa vascular endothelial growth factor A multiple interactions EXP Duloxetine Hydrochloride inhibits the reaction [Indomethacin results in decreased expression of VEGFA protein] CTD PMID:38701902 NCBI chr 9:14,955,300...14,970,641
Ensembl chr 9:14,955,300...14,970,641 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      application 19668
        pharmaceutical 19508
          drug 19508
            central nervous system drug 16783
              psychotropic drug 15563
                antidepressant 3748
                  (S)-duloxetine hydrochloride 17
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            organic molecule 19690
                              organic cyclic compound 19501
                                organic heterocyclic compound 18878
                                  organosulfur heterocyclic compound 10024
                                    thiophenes 222
                                      duloxetine 17
                                        (S)-duloxetine 17
                                          (S)-duloxetine hydrochloride 17
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