Page last updated: 2024-11-05

[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-(phenylmethyl)ammonium

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

denatonium: a potent bittering agent [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID15488
CHEMBL ID1738972
CHEBI ID95255
SCHEMBL ID155674
SCHEMBL ID22662475

Synonyms (34)

Synonym
denatonium
PRESTWICK3_000961
PRESTWICK2_000961
BPBIO1_001059
BSPBIO_000961
AB00444483
PRESTWICK1_000961
SPBIO_002882 ,
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
zfqmtvnldnxrnq-uhfffaoysa-
[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-diethyl-(phenylmethyl)azanium benzoat
inchi=1/c21h28n2o/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14h,5-6,15-16h2,1-4h3/p+1
4ik22df4ou ,
47324-98-1
unii-4ik22df4ou
denatonium [who-dd]
benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium
benzenemethanaminium, n-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-n,n-diethyl
denatonium [vandf]
SCHEMBL155674
DTXSID9043770
CHEMBL1738972
AB00444483_07
sr-01000944429
SR-01000944429-1
CHEBI:95255
SBI-0206878.P001
Q27167097
BRD-K34122555-057-06-5
SCHEMBL22662475
NCGC00017043-03
gtpl12433
n-benzyl-2-(2,6-dimethylanilino)-n,n-diethyl-2-oxoethan-1-aminium
WK3 ,

Research Excerpts

Dosage Studied

ExcerptRelevanceReference
" A total of 43 subjects were randomly assigned and dosed to ARD-101 or placebo with 42 subjects completing the study treatment."( First-in-Human Evaluation of Oral Denatonium Acetate (ARD-101), a Potential Bitter Taste Receptor Agonist: A Randomized, Double-Blind, Placebo-Controlled Phase 1 Trial in Healthy Adults.
Lee, TL; Niethammer, AG; Timmer, A; Zheng, Z, 2022
)
0.72
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
amino acid amideAn amide of an amino acid formed formally by conversion of the carboxy group to a carboxamido group.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (2)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Spike glycoproteinSevere acute respiratory syndrome-related coronavirusPotency7.94330.009610.525035.4813AID1479145
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
POU domain, class 2, transcription factor 1Homo sapiens (human)Km12.60002.10005.39008.6000AID1769498
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (4)

Processvia Protein(s)Taxonomy
negative regulation of DNA-templated transcriptionPOU domain, class 2, transcription factor 1Homo sapiens (human)
negative regulation of DNA-templated transcriptionPOU domain, class 2, transcription factor 1Homo sapiens (human)
positive regulation of transcription by RNA polymerase IIPOU domain, class 2, transcription factor 1Homo sapiens (human)
positive regulation of miRNA transcriptionPOU domain, class 2, transcription factor 1Homo sapiens (human)
regulation of transcription by RNA polymerase IIPOU domain, class 2, transcription factor 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (7)

Processvia Protein(s)Taxonomy
RNA polymerase II cis-regulatory region sequence-specific DNA bindingPOU domain, class 2, transcription factor 1Homo sapiens (human)
RNA polymerase II core promoter sequence-specific DNA bindingPOU domain, class 2, transcription factor 1Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificPOU domain, class 2, transcription factor 1Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificPOU domain, class 2, transcription factor 1Homo sapiens (human)
DNA bindingPOU domain, class 2, transcription factor 1Homo sapiens (human)
protein bindingPOU domain, class 2, transcription factor 1Homo sapiens (human)
sequence-specific DNA bindingPOU domain, class 2, transcription factor 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (7)

Processvia Protein(s)Taxonomy
nucleusPOU domain, class 2, transcription factor 1Homo sapiens (human)
nucleoplasmPOU domain, class 2, transcription factor 1Homo sapiens (human)
endoplasmic reticulumPOU domain, class 2, transcription factor 1Homo sapiens (human)
intracellular membrane-bounded organellePOU domain, class 2, transcription factor 1Homo sapiens (human)
chromatinPOU domain, class 2, transcription factor 1Homo sapiens (human)
RNA polymerase II transcription regulator complexPOU domain, class 2, transcription factor 1Homo sapiens (human)
virion membraneSpike glycoproteinSevere acute respiratory syndrome-related coronavirus
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (6)

Assay IDTitleYearJournalArticle
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1769500Substrate activity at human OCT1 expressed in HEK293 cells assessed as increase in compound uptake by measuring intrinsic clearance incubated for 2 mins by LC-MS/MS analysis2021Journal of medicinal chemistry, 03-11, Volume: 64, Issue:5
Identification of Novel High-Affinity Substrates of OCT1 Using Machine Learning-Guided Virtual Screening and Experimental Validation.
AID1769499Substrate activity at human OCT1 expressed in HEK293 cells assessed as increase in compound uptake by measuring Vmax incubated for 2 mins by LC-MS/MS analysis2021Journal of medicinal chemistry, 03-11, Volume: 64, Issue:5
Identification of Novel High-Affinity Substrates of OCT1 Using Machine Learning-Guided Virtual Screening and Experimental Validation.
AID1769498Substrate activity at human OCT1 expressed in HEK293 cells assessed as increase in compound uptake by measuring Km incubated for 2 mins by LC-MS/MS analysis2021Journal of medicinal chemistry, 03-11, Volume: 64, Issue:5
Identification of Novel High-Affinity Substrates of OCT1 Using Machine Learning-Guided Virtual Screening and Experimental Validation.
AID1769501Ratio of drug uptake in human OCT1 expressing HEK293 cells at 2.5 uM to drug uptake in empty vector transfected human HEK293 cells at 2.5 uM2021Journal of medicinal chemistry, 03-11, Volume: 64, Issue:5
Identification of Novel High-Affinity Substrates of OCT1 Using Machine Learning-Guided Virtual Screening and Experimental Validation.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (48)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's1 (2.08)18.2507
2000's10 (20.83)29.6817
2010's18 (37.50)24.3611
2020's19 (39.58)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 11.67

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index11.67 (24.57)
Research Supply Index3.99 (2.92)
Research Growth Index5.66 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (11.67)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials4 (8.16%)5.53%
Reviews0 (0.00%)6.00%
Case Studies1 (2.04%)4.05%
Observational0 (0.00%)0.25%
Other44 (89.80%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]