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ONTOLOGY REPORT - ANNOTATIONS


Term:aprepitant
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Accession:CHEBI:499361 term browser browse the term
Definition:A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors.
Synonyms:exact_synonym: 5-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
 related_synonym: 3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-Delta(2)-1,2,4-triazolin-5-one;   Formula=C23H21F7N4O3;   InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1;   InChIKey=ATALOFNDEOCMKK-OITMNORJSA-N;   SMILES=C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F;   aprepitantum
 xref: Beilstein:8096869 "Beilstein";   CAS:170729-80-3 "ChemIDplus";   CAS:170729-80-3 "DrugBank";   CAS:170729-80-3 "KEGG DRUG";   DrugBank:DB00673;   Drug_Central:230 "DrugCentral";   HMDB:HMDB0014811;   KEGG:D02968;   LINCS:LSM-5637
 xref_mesh: MESH:C114556
 xref: PMID:21415280 "Europe PMC";   PMID:22141732 "Europe PMC";   PMID:22187110 "Europe PMC";   PMID:22260216 "Europe PMC";   PMID:22995650 "Europe PMC";   PMID:23062719 "Europe PMC";   PMID:23191934 "Europe PMC";   PMID:23370141 "Europe PMC";   PMID:23560185 "Europe PMC";   Reaxys:8096869 "Reaxys";   Wikipedia:Aprepitant


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aprepitant term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Bad BCL2-associated agonist of cell death JBrowse link 1 222,198,516 222,207,459 RGD:6480464
G Bax BCL2 associated X, apoptosis regulator JBrowse link 1 101,451,801 101,457,207 RGD:6480464
G Bcl2 BCL2, apoptosis regulator JBrowse link 13 26,605,426 26,769,374 RGD:6480464
G Bid BH3 interacting domain death agonist JBrowse link 4 153,439,812 153,465,247 RGD:6480464
G Birc2 baculoviral IAP repeat-containing 2 JBrowse link 8 6,014,014 6,036,668 RGD:6480464
G Birc3 baculoviral IAP repeat-containing 3 JBrowse link 8 6,048,590 6,076,828 RGD:6480464
G Birc5 baculoviral IAP repeat-containing 5 JBrowse link 10 106,856,097 106,864,419 RGD:6480464
G Casp3 caspase 3 JBrowse link 16 48,845,011 48,863,249 RGD:6480464
G Cdkn1a cyclin-dependent kinase inhibitor 1A JBrowse link 20 6,348,422 6,358,864 RGD:6480464
G Mcl1 MCL1 apoptosis regulator, BCL2 family member JBrowse link 2 197,786,212 197,788,992 RGD:6480464
G Mmp12 matrix metallopeptidase 12 JBrowse link 8 5,594,717 5,616,494 RGD:6480464
G Myc MYC proto-oncogene, bHLH transcription factor JBrowse link 7 102,586,313 102,591,240 RGD:6480464
G Nfkbia NFKB inhibitor alpha JBrowse link 6 76,267,227 76,270,457 RGD:6480464
G Pgr progesterone receptor JBrowse link 8 7,128,656 7,187,796 RGD:6480464
G Tac1 tachykinin, precursor 1 JBrowse link 4 33,638,853 33,646,819 RGD:6480464
G Tacr1 tachykinin receptor 1 JBrowse link 4 113,247,236 113,416,139 RGD:6480464
G Thra thyroid hormone receptor alpha JBrowse link 10 86,657,285 86,684,935 RGD:6480464
G Tp73 tumor protein p73 JBrowse link 5 171,355,876 171,415,354 RGD:6480464
G Xiap X-linked inhibitor of apoptosis JBrowse link X 128,409,425 128,455,786 RGD:6480464

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Term Annotations click to browse term
  CHEBI ontology 19657
    role 19601
      application 19225
        pharmaceutical 19089
          drug 19089
            peripheral nervous system drug 1229
              aprepitant 19
Path 2
Term Annotations click to browse term
  CHEBI ontology 19657
    subatomic particle 19653
      composite particle 19653
        hadron 19653
          baryon 19653
            nucleon 19653
              atomic nucleus 19653
                atom 19653
                  main group element atom 19534
                    main group molecular entity 19534
                      s-block molecular entity 19319
                        hydrogen molecular entity 19310
                          hydrides 18237
                            organic hydride 17526
                              organic fundamental parent 17526
                                hydrocarbon 16933
                                  alkane 12480
                                    methane 9408
                                      halomethane 9408
                                        fluoromethanes 6273
                                          fluoroform 6273
                                            trifluoromethyl group 6273
                                              (trifluoromethyl)benzenes 6273
                                                aprepitant 19
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