CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: aprepitant
Accession: CHEBI:499361
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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; CAS:170729-80-3; DrugBank:DB00673; Drug_Central:230; HMDB:HMDB0014811; KEGG:D02968; LINCS:LSM-5637
xref_mesh: MESH:C114556
xref: PMID:21415280; PMID:22141732; PMID:22187110; PMID:22260216; PMID:22995650; PMID:23062719; PMID:23191934; PMID:23370141; PMID:23560185; Reaxys:8096869; Wikipedia:Aprepitant
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Bad
BCL2-associated agonist of cell death
multiple interactions increases expression
ISO
Arsenic Trioxide promotes the reaction [Aprepitant results in increased expression of BAD mRNA]
CTD
PMID:30145367
NCBI chr 1:204,133,502...204,142,829
Ensembl chr 1:204,131,501...204,142,823
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Bax
BCL2 associated X, apoptosis regulator
multiple interactions increases expression
ISO
Arsenic Trioxide promotes the reaction [Aprepitant results in increased expression of BAX mRNA]
CTD
PMID:30145367
NCBI chr 1:95,940,001...95,945,407
Ensembl chr 1:95,938,808...95,945,368
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Bcl2
BCL2, apoptosis regulator
multiple interactions
ISO
[Arsenic Trioxide co-treated with Aprepitant] results in decreased expression of BCL2 mRNA
CTD
PMID:30145367
NCBI chr13:22,689,783...22,853,920
Ensembl chr13:22,684,989...22,853,743 Ensembl chr13:22,684,989...22,853,743
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Bid
BH3 interacting domain death agonist
multiple interactions
ISO
[Arsenic Trioxide co-treated with Aprepitant] results in increased expression of BID mRNA
CTD
PMID:30145367
NCBI chr 4:154,113,198...154,136,353
Ensembl chr 4:154,113,198...154,134,720
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Birc2
baculoviral IAP repeat-containing 2
decreases expression multiple interactions
ISO
Aprepitant results in decreased expression of BIRC2 mRNA Arsenic Trioxide promotes the reaction [Aprepitant results in decreased expression of BIRC2 mRNA]
CTD
PMID:30145367
NCBI chr 8:4,968,856...4,989,325
Ensembl chr 8:4,968,842...4,988,732
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Birc3
baculoviral IAP repeat-containing 3
multiple interactions decreases expression
ISO
Arsenic Trioxide promotes the reaction [Aprepitant results in decreased expression of BIRC3 mRNA]
CTD
PMID:30145367
NCBI chr 8:5,000,844...5,028,470
Ensembl chr 8:5,000,845...5,015,802
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Birc5
baculoviral IAP repeat-containing 5
multiple interactions
ISO
[Arsenic Trioxide co-treated with Aprepitant] results in decreased expression of BIRC5 mRNA
CTD
PMID:30145367
NCBI chr10:103,072,530...103,081,382
Ensembl chr10:103,073,408...103,081,380
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Casp3
caspase 3
increases activity multiple interactions
ISO
Aprepitant results in increased activity of CASP3 protein Aprepitant promotes the reaction [Arsenic Trioxide results in increased activity of CASP3 protein]; Arsenic Trioxide promotes the reaction [Aprepitant results in increased activity of CASP3 protein]
CTD
PMID:30145367
NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
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Cdkn1a
cyclin-dependent kinase inhibitor 1A
multiple interactions
ISO
[Arsenic Trioxide co-treated with Aprepitant] results in increased expression of CDKN1A mRNA
CTD
PMID:30145367
NCBI chr20:7,149,177...7,159,727
Ensembl chr20:7,149,217...7,159,585
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Mcl1
MCL1 apoptosis regulator, BCL2 family member
multiple interactions
ISO
[Arsenic Trioxide co-treated with Aprepitant] results in decreased expression of MCL1 mRNA
CTD
PMID:30145367
NCBI chr 2:183,219,137...183,235,676
Ensembl chr 2:183,219,220...183,222,303
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Mmp12
matrix metallopeptidase 12
multiple interactions
ISO
aprepitant inhibits the reaction [TAC1 protein results in increased expression of MMP12 mRNA]
CTD
PMID:18441096
NCBI chr 8:4,581,785...4,591,687
Ensembl chr 8:4,581,785...4,599,611
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Myc
MYC proto-oncogene, bHLH transcription factor
multiple interactions
ISO
[Arsenic Trioxide co-treated with Aprepitant] results in decreased expression of MYC mRNA
CTD
PMID:30145367
NCBI chr 7:93,593,705...93,598,633
Ensembl chr 7:93,593,705...93,598,630
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Nfkbia
NFKB inhibitor alpha
decreases phosphorylation multiple interactions
ISO
Aprepitant results in decreased phosphorylation of NFKBIA protein Arsenic Trioxide promotes the reaction [Aprepitant results in decreased phosphorylation of NFKBIA protein]
CTD
PMID:30145367
NCBI chr 6:72,858,713...72,861,941
Ensembl chr 6:72,858,712...72,861,941
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Pgr
progesterone receptor
multiple interactions
ISO
aprepitant binds to and results in decreased activity of PGR protein
CTD
PMID:25752796
NCBI chr 8:6,073,216...6,131,552
Ensembl chr 8:6,072,673...6,131,344
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Tac1
tachykinin, precursor 1
multiple interactions
ISO
aprepitant inhibits the reaction [TAC1 protein results in increased expression of MMP12 mRNA]; aprepitant inhibits the reaction [TAC1 protein results in increased expression of TACR1 mRNA]
CTD
PMID:18441096
NCBI chr 4:35,679,183...35,687,180
Ensembl chr 4:35,679,704...35,687,178
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Tacr1
tachykinin receptor 1
multiple interactions
ISO
aprepitant binds to and results in decreased activity of TACR1 protein aprepitant inhibits the reaction [TAC1 protein results in increased expression of TACR1 mRNA]
CTD
PMID:18441096 PMID:20623144 PMID:20718754
NCBI chr 4:114,920,844...115,089,733
Ensembl chr 4:114,920,844...115,089,733
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Thra
thyroid hormone receptor alpha
multiple interactions
ISO
aprepitant binds to and results in decreased activity of THRA protein
CTD
PMID:25752796
NCBI chr10:83,701,885...83,729,408
Ensembl chr10:83,700,755...83,729,936
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Tp73
tumor protein p73
multiple interactions
ISO
[Arsenic Trioxide co-treated with Aprepitant] results in increased expression of TP73 mRNA
CTD
PMID:30145367
NCBI chr 5:164,621,377...164,703,958
Ensembl chr 5:164,621,377...164,681,128
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Xiap
X-linked inhibitor of apoptosis
multiple interactions
ISO
[Arsenic Trioxide co-treated with Aprepitant] results in decreased expression of XIAP mRNA
CTD
PMID:30145367
NCBI chr X:120,890,537...120,938,413
Ensembl chr X:120,897,907...120,934,700
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