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ONTOLOGY REPORT - ANNOTATIONS


Term:(S)-duloxetine
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Accession:CHEBI:36795 term browser browse the term
Definition:A duloxetine that has formula C18H19NOS.
Synonyms:exact_synonym: (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine
 related_synonym: (3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine;   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/t17-/m0/s1;   InChIKey=ZEUITGRIYCTCEM-KRWDZBQOSA-N;   LY 248686;   SMILES=CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
 xref: Beilstein:4297128;   CAS:116539-59-4;   DrugBank:DB00476;   Drug_Central:972;   LINCS:LSM-3591;   Wikipedia:Duloxetine
 cyclic_relationship: is_enantiomer_of CHEBI:36797


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(S)-duloxetine hydrochloride term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Ar androgen receptor JBrowse link X 67,656,253 67,828,998 RGD:6480464
G Cyp17a1 cytochrome P450, family 17, subfamily a, polypeptide 1 JBrowse link 1 266,422,127 266,429,947 RGD:6480464
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 JBrowse link 8 62,451,360 62,458,244 RGD:6480464
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 JBrowse link 7 123,599,264 123,608,436 RGD:6480464
G Hmox1 heme oxygenase 1 JBrowse link 19 14,508,634 14,515,455 RGD:6480464
G Kcnh2 potassium voltage-gated channel subfamily H member 2 JBrowse link 4 7,355,066 7,387,282 RGD:6480464
G Kcnj3 potassium inwardly-rectifying channel, subfamily J, member 3 JBrowse link 3 41,019,898 41,181,070 RGD:6480464
G Kcnj5 potassium inwardly-rectifying channel, subfamily J, member 5 JBrowse link 8 33,435,493 33,463,410 RGD:6480464
G Kcnj6 potassium inwardly-rectifying channel, subfamily J, member 6 JBrowse link 11 35,011,007 35,262,362 RGD:6480464
G Nfe2l2 nuclear factor, erythroid 2-like 2 JBrowse link 3 62,497,568 62,525,146 RGD:6480464
G Prl prolactin JBrowse link 17 39,814,236 39,824,299 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19789
    role 19735
      biological role 19734
        biochemical role 19227
          enzyme inhibitor 18102
            EC 3.* (hydrolase) inhibitor 17591
              EC 3.4.* (hydrolases acting on peptide bond) inhibitor 3164
                EC 3.4.21.* (serine endopeptidase) inhibitor 1583
                  EC 3.4.21.26 (prolyl oligopeptidase) inhibitor 1506
                    duloxetine 11
                      (S)-duloxetine 11
                        (S)-duloxetine hydrochloride 11
Path 2
Term Annotations click to browse term
  CHEBI ontology 19789
    subatomic particle 19787
      composite particle 19787
        hadron 19787
          baryon 19787
            nucleon 19787
              atomic nucleus 19787
                atom 19787
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19569
                        carbon atom 19558
                          organic molecular entity 19558
                            organic molecule 19480
                              organic cyclic compound 19239
                                organic heterocyclic compound 18352
                                  organosulfur heterocyclic compound 5531
                                    thiophenes 185
                                      duloxetine 11
                                        (S)-duloxetine 11
                                          (S)-duloxetine hydrochloride 11
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.