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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 1:263,554,426...263,612,556
Ensembl chr 1:263,554,453...263,613,252 		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 4:88,765,441...88,890,268
Ensembl chr 4:88,832,178...88,890,621 		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 1:221,910,787...221,919,277
Ensembl chr 1:221,910,767...221,919,301 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19761
    role 19711
      application 19401
        anti-inflammatory agent 15761
          anti-inflammatory drug 13612
            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 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    main group molecular entity 19653
                      s-block molecular entity 19418
                        hydrogen molecular entity 19411
                          hydrides 18751
                            inorganic hydride 17451
                              pnictogen hydride 17426
                                nitrogen hydride 17271
                                  azane 17007
                                    ammonia 17006
                                      organic amino compound 17005
                                        secondary amino compound 6555
                                          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