Drug Information
Drug General Information | |||||
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Drug ID |
D0GU4K
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Former ID |
DAP000362
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Drug Name |
Aprepitant
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Synonyms |
Emend; Aprepitant [USAN]; L 754030; MK 0869; MK 869; Emend (TN); L-754030; MK-0869; MK-869; 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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Drug Type |
Small molecular drug
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Therapeutic Class |
Antiemetics
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Company |
Merck & Co
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Structure |
Download2D MOL |
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Formula |
C23H21F7N4O3
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InChI |
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
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InChIKey |
ATALOFNDEOCMKK-OITMNORJSA-N
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CAS Number |
CAS 170729-80-3
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PubChem Compound ID | |||||
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
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SuperDrug ATC ID |
A04AD12
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SuperDrug CAS ID |
cas=170729803
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Target and Pathway | |||||
Target(s) | Substance-P receptor | Target Info | Antagonist | [537211] | |
PANTHER Pathway | CCKR signaling map ST | ||||
Reactome | G alpha (q) signalling events | ||||
References | |||||
Ref 536361 | Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20. | ||||
Ref 540429 | (http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3490). |
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