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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 1:204,133,502...204,142,829
Ensembl chr 1:204,131,501...204,142,823
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 1:95,940,001...95,945,407
Ensembl chr 1:95,938,808...95,945,368
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:71,661,415...71,690,158
Ensembl chr  X:71,663,821...71,690,121
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 7:116,832,405...116,900,878
Ensembl chr 7:116,832,756...116,895,346
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 4:148,423,102...148,548,471
Ensembl chr 4:148,423,194...148,548,468
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 3:10,989,832...11,076,366
Ensembl chr 3:10,989,832...11,073,712
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      application 19781
        anti-asthmatic agent 9295
          anti-asthmatic drug 8664
            tomelukast 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      ketone 17115
                                        methyl ketone 769
                                          acetophenones 152
                                            tomelukast 6
paths to the root