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ONTOLOGY REPORT - ANNOTATIONS


Term:E3040
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Accession:CHEBI:4732 term browser browse the term
Definition:A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a methylnitrilo group, (pyridin-3-yl)methyl group, methyl group, hydroxy group and methyl group at position 2,4,5,6 and 7, respectively. It is a dual inhibitor of 5-lipoxygenase and thromboxane A2 synthetase and exhibits anti-inflammatory properties. The drug was being developed by Eisai (Tokyo, Japan) for the treatment of bowel disease.
Synonyms:exact_synonym: 5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol
 related_synonym: 6-hydroxy-5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl) benzothiazole;   E-3040;   Formula=C16H17N3OS;   InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19);   InChIKey=IONAQTGMWFXHIX-UHFFFAOYSA-N;   SMILES=C1(=C(CC2=CN=CC=C2)C3=C(C(C)=C1O)SC(NC)=N3)C
 xref: CAS:145096-30-6;   KEGG:C11593
 xref_mesh: MESH:C095803
 xref: PMID:10206322;   PMID:10594872;   PMID:11011031;   PMID:11430933;   PMID:11557269;   PMID:12023941;   PMID:15319327;   PMID:15598971;   PMID:7562509;   PMID:8536337;   PMID:8592681;   PMID:9023311;   PMID:9262353


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E3040 term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcc2 ATP binding cassette subfamily C member 2 JBrowse link 1 263,554,426 263,612,556 RGD:6480464
G Abcg2 ATP binding cassette subfamily G member 2 JBrowse link 4 88,765,441 88,890,268 RGD:6480464
G Slc22a12 solute carrier family 22 member 12 JBrowse link 1 221,910,787 221,919,277 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19717
      application 19366
        anti-inflammatory agent 14964
          anti-inflammatory drug 13613
            E3040 3
              5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate 0
              E3040 glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19653
                    main group molecular entity 19653
                      s-block molecular entity 19415
                        hydrogen molecular entity 19404
                          hydrides 18360
                            inorganic hydride 17215
                              pnictogen hydride 17178
                                nitrogen hydride 17012
                                  azane 16707
                                    ammonia 16706
                                      organic amino compound 16705
                                        secondary amino compound 6449
                                          E3040 3
                                            5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate 0
                                            E3040 glucuronide 0
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