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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:fosaprepitant
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Accession:CHEBI:64321 term browser browse the term
Definition:A morpholine derivative that is the (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl ether of (3-{[(2R,3S)-3-(4-fluorophenyl)-2-hydroxymorpholin-4-yl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid.
Synonyms:exact_synonym: (3-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonic acid
 related_synonym: Formula=C23H22F7N4O6P;   InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1;   InChIKey=BARDROPHSZEBKC-OITMNORJSA-N;   L-758,298;   L-758298;   SMILES=C[C@@H](O[C@H]1OCCN(Cc2nn(c(=O)[nH]2)P(O)(O)=O)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F;   fosaprepitantum
 xref: CAS:172673-20-0;   DrugBank:DB06717;   Drug_Central:4470;   HMDB:HMDB0015662
 xref_mesh: MESH:C579707
 xref: PMID:19608812;   PMID:20795794;   PMID:21042544;   PMID:21209230;   PMID:21270665;   PMID:21383291;   PMID:21711119;   PMID:21947834;   PMID:22228030;   PMID:22316362;   Patent:US2010029592;   Reaxys:8601672;   Wikipedia:Fosaprepitant_dimeglumine
 cyclic_relationship: is_conjugate_acid_of CHEBI:64322


show annotations for term's descendants           Sort by:
fosaprepitant term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Mpo myeloperoxidase multiple interactions ISO fosaprepitant inhibits the reaction [Cyclophosphamide results in increased activity of MPO protein] CTD PMID:39378958 NCBI chr10:73,092,124...73,102,057
Ensembl chr10:73,092,400...73,102,056 		JBrowse link
G Myd88 MYD88, innate immune signal transduction adaptor multiple interactions ISO [fosaprepitant co-treated with Cyclophosphamide] results in decreased expression of MYD88 protein CTD PMID:39378958 NCBI chr 8:127,952,161...127,956,230
Ensembl chr 8:127,952,161...127,956,230 		JBrowse link
G Tlr4 toll-like receptor 4 multiple interactions ISO fosaprepitant inhibits the reaction [Cyclophosphamide results in increased expression of TLR4 protein] CTD PMID:39378958 NCBI chr 5:85,161,247...85,174,882
Ensembl chr 5:85,161,192...85,175,007 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      application 20621
        pro-agent 12349
          prodrug 12109
            fosaprepitant 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    main group molecular entity 20781
                      s-block molecular entity 20574
                        hydrogen molecular entity 20558
                          hydrides 19693
                            organic hydride 19079
                              organic fundamental parent 19079
                                hydrocarbon 18731
                                  halohydrocarbon 16109
                                    haloalkane 13050
                                      fluoroalkane 9309
                                        fluoromethanes 6826
                                          tetrafluoromethane 6826
                                            trifluoromethyl group 6826
                                              (trifluoromethyl)benzenes 6826
                                                fosaprepitant 3
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