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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:rofecoxib
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Accession:CHEBI:8887 term browser browse the term
Definition:A butenolide that is furan-2(5H)-one substituted by a phenyl group at position 3 and by a p-(methylsulfonyl)phenyl group at position 4. A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.
Synonyms:exact_synonym: 4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one
 related_synonym: 3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone;   Ceoxx;   Formula=C17H14O4S;   InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3;   InChIKey=RZJQGNCSTQAWON-UHFFFAOYSA-N;   SMILES=CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1;   Vioxx;   rofecoxibum
 xref: Beilstein:8269007;   CAS:162011-90-7;   DrugBank:DB00533;   Drug_Central:2397;   KEGG:C07590;   KEGG:D00568;   LINCS:LSM-2482
 xref_mesh: MESH:C116926
 xref: PMID:10859630;   PMID:11014111;   PMID:12069696;   PMID:16934051;   PMID:20162413;   PMID:28166217;   Reaxys:8269007;   Wikipedia:Rofecoxib


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Path 1
Term Annotations click to browse term
  CHEBI ontology 494
    role 501
      biological role 494
        pharmacological role 164
          analgesic 19
            rofecoxib 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            heteroorganic entity 471
                              organochalcogen compound 425
                                organooxygen compound 423
                                  ester 105
                                    carboxylic ester 99
                                      lactone 42
                                        gamma-lactone 19
                                          butenolide 15
                                            rofecoxib 0
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