Drug ID: D01345

Drug General Information

Drug Name
Aprepitant
Synonyms
Aprepitant [USAN]; L 754030; MK 0869; Emend (TN); L-754030; MK-0869; ONO-7436; Aprepitant (JAN/USAN/INN); MK-869, L-754030, Emend, Aprepitant; 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; 3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(sup 2)-1,2,4-triazolin-5-one; 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one; 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one; 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
Drug Type
Small molecular drug
Indications
Depression [ICD-11: 6A70-6A7Z]
Approved
Nausea [ICD-11: MD90]
Approved
Solid tumour/cancer [ICD-11: 2A00-2F9Z]
Phase 3
Company
Merck & Co
Summary
Aprepitant is a substance P/neurokinin 1 receptor antagonist used to treat nausea and vomiting caused by chemotherapy and surgery.
Target
Substance-P receptor (TACR1)
Mechanism of Action: Antagonist
 T47094

Drug Chemical Infomation and External Links

Download MOL File
Formula
C23H21F7N4O3
Canonical SMILES
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
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
CAS Number CAS 170729-80-3
TTD ID D0GU4K
DrugBank ID DB00673
PubChem Compound ID 135413536
PubChem Substance ID
12015114 , 14787735 , 14812125 , 14861083 , 17194840 , 17397125 , 43529742 , 46505211 , 57371901 , 78987111 , 85688297 , 87325160 , 92309268 , 99004566 , 99436929 , 103537416 , 104093182 , 114787856 , 124757066 , 125163870 , 126591284 , 127455160 , 131407867 , 134340233 , 136920424 , 137218139 , 142087425 , 144115619 , 144241223 , 152034917 , 152108763 , 152258074 , 152344114 , 160646913 , 162011655 , 162037494 , 162180403 , 162802005 , 164831883 , 174527912 , 175268021 , 175611987 , 176484545 , 176484962 , 177749355 , 178100479 , 179150056 , 184816401 , 188899509 , 223704605
ChEBI ID CHEBI:499361
ADReCS Drug ID BADD_D00157

Drug-Food (Herb) Interactions

  • Drug
  • Foods
  • Herbs
  • Positive
  • Negative
  • Possible
  • Harmful
  • No Effect
ID Name Dose Type Drug Brand Name Drug Dose Drug Dosage Form Experimental Species Individuals Number Test Sample Ingredient Effect Relationship Classification
ID Name Dose Type Drug Brand Name Drug Dose Drug Dosage Form Experimental Species Individuals Number Test Sample Ingredient Effect Relationship classification