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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:tomelukast
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Accession:CHEBI:75310 term browser browse the term
Definition:A member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity.
Synonyms:exact_synonym: 1-{2-hydroxy-3-propyl-4-[4-(1H-tetrazol-5-yl)butoxy]phenyl}ethanone
 related_synonym: 2'-hydroxy-3'-propyl-4'-(4-(1H-tetrazol-5-yl)butoxy)acetophenone;   Formula=C16H22N4O3;   InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20);   InChIKey=MWYHLEQJTQJHSS-UHFFFAOYSA-N;   LY171883;   SMILES=CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O;   tomelukastum
 xref: CAS:88107-10-2;   KEGG:D02851;   LINCS:LSM-3675
 xref_mesh: MESH:C044660
 xref: PMID:12429577;   PMID:18031150;   Reaxys:4238438


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tomelukast term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bad BCL2-associated agonist of cell death increases expression EXP LY 171883 results in increased expression of BAD protein CTD PMID:12065618 NCBI chr 1:222,198,516...222,207,459
Ensembl chr 1:222,198,534...222,207,453
JBrowse link
G Bax BCL2 associated X, apoptosis regulator increases expression EXP LY 171883 results in increased expression of BAX protein CTD PMID:12065618 NCBI chr 1:101,451,801...101,457,207
Ensembl chr 1:101,451,802...101,457,207
JBrowse link
G Cysltr1 cysteinyl leukotriene receptor 1 multiple interactions ISO [LY 171883 binds to and results in decreased activity of CYSLTR1 protein] which results in decreased abundance of Leukotriene B4; LY 171883 binds to and results in decreased activity of CYSLTR1 protein
LY 171883 binds to and results in increased activity of CYSLTR1 protein; LY 171883 inhibits the reaction [Leukotriene D4 binds to and results in increased activity of CYSLTR1 protein]
CTD PMID:8014878, PMID:14718577 NCBI chr  X:77,671,028...77,700,491
Ensembl chr  X:77,674,150...77,700,269
JBrowse link
G Ppara peroxisome proliferator activated receptor alpha multiple interactions ISO LY 171883 binds to and results in increased activity of PPARA protein CTD PMID:15491415 NCBI chr 7:126,618,872...126,687,282
Ensembl chr 7:126,619,196...126,681,752
JBrowse link
G Pparg peroxisome proliferator-activated receptor gamma multiple interactions ISO LY 171883 results in increased activity of [PPARG protein co-treated with RXRA protein] CTD PMID:8700121 NCBI chr 4:147,274,055...147,399,383
Ensembl chr 4:147,274,107...147,399,380
JBrowse link
G Rxra retinoid X receptor alpha multiple interactions ISO LY 171883 results in increased activity of [PPARG protein co-treated with RXRA protein] CTD PMID:8700121 NCBI chr 3:6,272,560...6,295,354
Ensembl chr 3:6,211,789...6,295,908
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        anti-asthmatic agent 9174
          anti-asthmatic drug 8548
            tomelukast 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      ketone 16144
                                        methyl ketone 732
                                          acetophenones 141
                                            tomelukast 6
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