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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 "ChemIDplus";   KEGG:C11593
 xref_mesh: MESH:C095803
 xref: PMID:10206322 "Europe PMC";   PMID:10594872 "Europe PMC";   PMID:11011031 "Europe PMC";   PMID:11430933 "Europe PMC";   PMID:11557269 "Europe PMC";   PMID:12023941 "Europe PMC";   PMID:15319327 "Europe PMC";   PMID:15598971 "Europe PMC";   PMID:7562509 "Europe PMC";   PMID:8536337 "Europe PMC";   PMID:8592681 "Europe PMC";   PMID:9023311 "Europe PMC";   PMID:9262353 "Europe PMC"


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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 19754
    role 19701
      application 19353
        anti-inflammatory agent 14956
          anti-inflammatory drug 13609
            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 19754
    subatomic particle 19752
      composite particle 19752
        hadron 19752
          baryon 19752
            nucleon 19752
              atomic nucleus 19752
                atom 19752
                  main group element atom 19637
                    main group molecular entity 19637
                      s-block molecular entity 19397
                        hydrogen molecular entity 19386
                          hydrides 18356
                            inorganic hydride 17216
                              pnictogen hydride 17180
                                nitrogen hydride 17014
                                  azane 16706
                                    ammonia 16703
                                      organic amino compound 16702
                                        secondary amino compound 6390
                                          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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