SHMARQL

aprepitant

<http://www.wikidata.org/entity/Q621834>

chemical compound
rdfs:label
"aprepitant"@en
skos:altLabel
"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"@en
"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"@en
schema:description
"chemical compound"@en
schema:dateModified "2026-10-04T22:51:56+00:00"^^xsd:dateTime
schema:version 2553217359
wikibase:identifiers 37
wikibase:sitelinks 25
wikibase:statements 62
p:P10245 wd:statement/Q621834-481c1a11-4a8a-3f0f-6500-1ff05eb7a4c4
p:P10283 wd:statement/Q621834-6BE6CDF7-CA1A-4CFA-807F-2ECA3CB54D09
p:P11089 wd:statement/Q621834-3B0A9658-ED7A-4301-BA68-57F1C4F7C86D
p:P11143 wd:statement/Q621834-0D7D711A-D460-457D-ADC5-544CFB11336F
p:P11198 wd:statement/Q621834-93CFAE60-372C-4166-8A67-7C91DF62E390
p:P11199 wd:statement/Q621834-46A89D31-5777-44F9-97CE-2396075F056C
p:P117 wd:statement/Q621834-EC3CA144-4946-4C4F-BAB2-120D58C929AB
p:P129 wd:statement/Q621834-34AC9D78-CB28-42EB-B819-43F05FC1B737
p:P1579 wd:statement/Q621834-611B62BE-8B77-45B6-AED8-C230D469E373
p:P2017 wd:statement/Q621834-02CEF721-1CFD-4BA0-AFD3-3E4DE3631181
p:P2057 wd:statement/Q621834-86DB9382-C6A6-4D8A-86ED-AE8F20B154B7
p:P2067 wd:statement/Q621834-6473CB19-9D82-45DF-9B5F-88C6CD4C1FB4
p:P2115 wd:statement/Q621834-0EA5C8DE-AAA6-49C2-90CF-792841107769
p:P2275 wd:statement/Q621834-5D2D759F-36EA-47E2-83F5-C9CD0162F451
p:P231 wd:statement/Q621834-FA85B05A-132E-4973-BF18-65BC4EE98659
p:P232 wd:statement/Q621834-34E99F84-4A1F-4D77-9733-539E65E687C2
p:P233 wd:statement/Q621834-B49B4B77-CC50-4195-8F4F-F1E7A9BD0C9D
p:P234 wd:statement/Q621834-152F98CD-136B-48B7-98B1-F80E1DDC8178
p:P235 wd:statement/Q621834-4CC68CDB-8195-4A1C-B439-669063021C98
p:P2566 wd:statement/Q621834-13572468-2468-1357-eca9-bdf024681357
p:P267 wd:statement/Q621834-13DD2C96-6AA4-413C-99DF-E78424AF2206
p:P274 wd:statement/Q621834-9062CAA8-0E06-4EEF-A56A-78A5F9393455
p:P279 wd:statement/Q621834-33274F43-2F6C-46E7-A744-E6D337D9FB7A
p:P2840 wd:statement/Q621834-1713B049-E2CB-44E3-A5E1-80BB94647E59
p:P2868 wd:statement/Q621834-78D3FE77-226F-48B0-96DE-8FA45867E2F2
wd:statement/Q621834-A402386B-991D-4A86-A196-8D45F06750B3
p:P2877 wd:statement/Q621834-10162D46-A7C8-4CBB-9926-798513787991
p:P2892 wd:statement/Q621834-623764A1-221E-4B84-AA3D-02FB81A33224
p:P31 wd:statement/Q621834-BAD8C80F-2E67-4D98-80E2-B45E726547EB
p:P3117 wd:statement/Q621834-792655A9-C100-497E-8779-832473735DFF
p:P3345 wd:statement/Q621834-578DDB9F-C6E1-47FA-A439-2244241BAD4B
p:P3364 wd:statement/Q621834-1A9D22AF-0B28-4844-9884-86FC84DB3B65
wd:statement/Q621834-A013425B-855C-4585-BDFB-354BADB4524E
wd:statement/Q621834-D1639BC9-4D3C-46F3-ACB6-1A915AD9A4A2
p:P3489 wd:statement/Q621834-36211D7A-8869-4B4B-B6B8-2E6A5D8BCB3E
wd:statement/Q621834-BE60C741-D1BD-452D-BD0D-E9772F49A84F
p:P3636 wd:statement/Q621834-7B156FD4-D2F5-492D-8476-190E78AD60DA
p:P366 wd:statement/Q621834-B8F365C4-251E-4F70-B788-E0B327D39C3D
p:P373 wd:statement/Q621834-1da1b52f-d6d3-4599-a439-b12f94a51798
p:P3780 wd:statement/Q621834-41032DDF-5900-4F36-8781-84A585BDB080
wd:statement/Q621834-4AB28538-3100-4E63-BBD8-BDB82F994330
p:P4250 wd:statement/Q621834-09D9CA92-E16A-4EC0-BB16-E5BD9BA4E6A4
wd:statement/Q621834-B0C6E509-39CA-4A81-B20C-D23A99DB0A5E
p:P486 wd:statement/Q621834-C7F72233-8850-441A-98B4-9B2EF62E0BC2
p:P592 wd:statement/Q621834-AA1BA770-5D21-4B23-BBEE-BD97A2887A33
p:P595 wd:statement/Q621834-38C53A8F-A830-49DE-9C89-C12188D95F1F
p:P6366 wd:statement/Q621834-01C38620-8E82-4732-A698-E3723F6FA9B4
p:P646 wd:statement/Q621834-5E038FE1-C412-4955-B07C-CD5E33CA2948
p:P652 wd:statement/Q621834-3DF2A6B1-8A64-4A6E-8230-61B5C1BB1E2F
p:P661 wd:statement/Q621834-A025D082-94A2-4A78-A623-E9B64928C80A
p:P662 wd:statement/Q621834-336AEEE6-D178-49FC-A9C8-59FC244212CB
p:P665 wd:statement/Q621834-75EC78E0-3B71-496D-A739-1CBF3C008E17
p:P672 wd:statement/Q621834-3ab163c4-4fc5-0c35-5fd4-4ecbcf838aff
p:P683 wd:statement/Q621834-42E8652E-0D74-47DF-A52B-0AAFCD593478
p:P715 wd:statement/Q621834-BD49670C-15A2-4997-8D6F-B6721EE9A16F
p:P769 wd:statement/Q621834-52856304-2669-4460-8A5C-64892F8A3606
wd:statement/Q621834-84431C70-D1A6-458A-BE0B-C577D5C64075
p:P7830 wd:statement/Q621834-66F5BF8F-AC38-4E90-B10A-D9A5F5FAADC7
p:P8026 wd:statement/Q621834-FB3BD165-7257-45A4-89CD-5CB834FA01F9
p:P8494 wd:statement/Q621834-371AD873-DC00-443D-9154-1AB7131F95E0
p:P9272 wd:statement/Q621834-783ABFB3-A8F9-4399-8E9F-6A8083E22731
p:P9635 wd:statement/Q621834-8C43E608-5F7D-4342-89C3-A9517136AA33
p:direct-normalized/P2115 <http://purl.bioontology.org/ontology/NDFRT/N0000148809>
p:direct-normalized/P486 <http://id.nlm.nih.gov/mesh/D000077608>
p:direct-normalized/P592 <http://rdf.ebi.ac.uk/resource/chembl/molecule/CHEMBL1471>
p:direct-normalized/P6366 <https://makg.org/entity/2780574406>
p:direct-normalized/P661 <http://rdf.chemspider.com/5293568>
p:direct-normalized/P662 <http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID135413536>
p:direct-normalized/P665 <http://www.kegg.jp/entry/D02968>
p:direct-normalized/P672 <http://id.nlm.nih.gov/mesh/D03.383.533.640.125>
p:direct-normalized/P683 <http://purl.obolibrary.org/obo/CHEBI_499361>
wdt:P10245 "a604003"
wdt:P10283 "C2780574406"
wdt:P11089 "59034"
wdt:P11143 "Aprepitant"
wdt:P11198 "230"
wdt:P11199 "PD009855"
wdt:P117 <http://commons.wikimedia.org/wiki/Special:FilePath/Aprepitant.svg>
wdt:P129 Tachykinin receptor 1
wdt:P1579 "8096869"
wdt:P2017 "C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F"
wdt:P2057 "HMDB0014811"
wdt:P2067 534.150188^^xsd:decimal
wdt:P2115 "N0000148809"
wdt:P2275 "aprepitant"@en
wdt:P231 "170729-80-3"
wdt:P232 "677-636-6"
wdt:P233 "CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F"
wdt:P234 "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"
wdt:P235 "ATALOFNDEOCMKK-OITMNORJSA-N"
wdt:P2566 "100.202.762"
wdt:P267 "A04AD12"
wdt:P274 "C₂₃H₂₁F₇N₄O₃"
wdt:P279 chemical compound
wdt:P2840 "748825"
wdt:P2868 NK1 receptor antagonists
antiemetic
wdt:P2877 "264924"
wdt:P2892 "C1176306"
wdt:P31 type of chemical entity
wdt:P3117 "DTXSID3049047"
wdt:P3345 "358255"
wdt:P3364 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
5-{[(2S,3R)-2-{(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
5-{[(2R,3R)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
wdt:P3489 US pregnancy category B
Australian pregnancy category B1
wdt:P3636 "GBQ"
wdt:P366 medication
wdt:P373 "Aprepitant"
wdt:P3780 Emend
Cinvanti
wdt:P4250 150.0^^xsd:decimal
165.0^^xsd:decimal
wdt:P486 "D000077608"
wdt:P592 "CHEMBL1471"
wdt:P595 "3490"
wdt:P6366 "2780574406"
wdt:P646 "/m/056ll1"
wdt:P652 "1NF15YR6UY"
wdt:P661 "5293568"
wdt:P662 "135413536"
wdt:P665 "D02968"
wdt:P672 "D03.383.533.640.125"
wdt:P683 "499361"
wdt:P715 "DB00673"
wdt:P769 rac-warfarin
wdt:P7830 "Aprepitant"
wdt:P8026 LiverTox toxicity likelihood category E
wdt:P8494 "DTXCID801021794"
wdt:P9272 "57711"
wdt:P9635 "536"
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data from SPARQL profile: Wikidata