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ONTOLOGY REPORT - ANNOTATIONS


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 "Beilstein";   CAS:116539-58-3 "ChemIDplus"
 xref_mesh: MESH:C058218
 xref: PMID:20825390 "Europe PMC"


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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 19654
    role 19598
      biological role 19596
        biochemical role 19125
          enzyme inhibitor 17962
            EC 3.* (hydrolase) inhibitor 17493
              EC 3.4.* (hydrolases acting on peptide bond) inhibitor 3125
                EC 3.4.21.* (serine endopeptidase) inhibitor 1555
                  EC 3.4.21.26 (prolyl oligopeptidase) inhibitor 1493
                    duloxetine 11
                      (R)-duloxetine + 0
                      (S)-duloxetine + 11
                      duloxetine hydrochloride + 11
Path 2
Term Annotations click to browse term
  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            organic molecule 19327
                              organic cyclic compound 19076
                                organic heterocyclic compound 18151
                                  organosulfur heterocyclic compound 5239
                                    thiophenes 178
                                      duloxetine 11
                                        (R)-duloxetine + 0
                                        (S)-duloxetine + 11
                                        duloxetine hydrochloride + 11
paths to the root

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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.