Details of the Drug
General Information of Drug (ID: DM053KT)
Drug Name |
Aprepitant
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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
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Indication |
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Therapeutic Class |
Antiemetics
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Drug Type |
Small molecular drug
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Structure | ||||||||||||||||||||||||||||
3D MOL | 2D MOL | |||||||||||||||||||||||||||
#Ro5 Violations (Lipinski): 2 | Molecular Weight (mw) | 534.4 | ||||||||||||||||||||||||||
Topological Polar Surface Area (xlogp) | 4.2 | |||||||||||||||||||||||||||
Rotatable Bond Count (rotbonds) | 6 | |||||||||||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 2 | |||||||||||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 12 | |||||||||||||||||||||||||||
ADMET Property |
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Chemical Identifiers |
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Cross-matching ID | ||||||||||||||||||||||||||||
Molecular Interaction Atlas of This Drug
Drug Therapeutic Target (DTT) |
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Drug Transporter (DTP) |
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Drug-Metabolizing Enzyme (DME) |
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Molecular Interaction Atlas (MIA) | |||||||||||||||||||||||||||||||||||||
Molecular Expression Atlas of This Drug
The Studied Disease | Depression | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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ICD Disease Classification | 6A70-6A7Z | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Molecular Expression Atlas (MEA) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Drug-Drug Interaction (DDI) Information of This Drug
Coadministration of a Drug Treating the Same Disease as Aprepitant
Coadministration of a Drug Treating the Disease Different from Aprepitant (Comorbidity)
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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug
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