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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: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 Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcc2 ATP binding cassette subfamily C member 2 multiple interactions ISO [SLCO1B1 protein co-treated with ABCC2 protein] results in increased transport of E 3040 analog CTD PMID:19628752 NCBI chr 1:242,664,657...242,723,239
Ensembl chr 1:242,664,657...242,723,238
JBrowse link
G Abcg2 ATP binding cassette subfamily G member 2 affects export ISO ABCG2 protein affects the export of E 3040 analog CTD PMID:15598971 NCBI chr 4:87,676,241...87,802,757
Ensembl chr 4:87,745,319...87,802,409
JBrowse link
G Slc22a12 solute carrier family 22 member 12 multiple interactions ISO E 3040 inhibits the reaction [SLC22A12 protein results in increased uptake of Uric Acid] CTD PMID:21272127 NCBI chr 1:203,845,039...203,852,496
Ensembl chr 1:203,845,048...203,853,555
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      application 19498
        anti-inflammatory agent 15841
          anti-inflammatory drug 13634
            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 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    main group molecular entity 19698
                      s-block molecular entity 19479
                        hydrogen molecular entity 19471
                          hydrides 18834
                            inorganic hydride 17691
                              pnictogen hydride 17671
                                nitrogen hydride 17543
                                  azane 17278
                                    ammonia 17277
                                      organic amino compound 17277
                                        secondary amino compound 6633
                                          E3040 3
                                            5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate 0
                                            E3040 glucuronide 0
paths to the root