Page last updated: 2024-12-10

1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone

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

The compound you've provided, **1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone**, is a complex organic molecule with a specific structure. This structure combines a piperidine ring, a quinazoline ring, and a thiophene ring with a carbonyl group and a thioether linkage.

However, without further context, it's impossible to definitively state its importance in research. It could be important for a variety of reasons, depending on its specific properties and potential applications. Here are some possibilities:

* **Pharmacology:** It could be a **potential drug candidate** with activity against specific biological targets. For example, it might be a **kinase inhibitor**, an **anti-inflammatory agent**, or a **neuroprotective compound**.
* **Materials science:** It could be a **building block** for the development of new materials, like **polymers** or **organic semiconductors**, due to its specific functional groups.
* **Synthesis and chemistry:** It could be a **useful intermediate** in the synthesis of other complex molecules, either as a starting material or a reagent.
* **Analytical chemistry:** It could be a **standard** or **reference compound** for calibrating analytical instruments or for developing new analytical methods.

To determine its specific importance, you would need more information about the research being conducted. Here are some questions to consider:

* **What research group or institution is studying this compound?**
* **What are the specific properties of the compound (e.g., melting point, solubility, spectral data)?**
* **What is the intended application of the compound?**
* **What are the results of the research on this compound?**

By answering these questions, you can gain a better understanding of why this compound is important in the specific context of the research being done.

Cross-References

ID SourceID
PubMed CID3221486
CHEMBL ID1423516
CHEBI ID114870

Synonyms (16)

Synonym
1-(3,5-dimethyl-piperidin-1-yl)-2-(2-thiophen-2-ylmethyl-quinazolin-4-ylsulfanyl)-ethanone
smr000173434
MLS000558301 ,
CHEBI:114870
AKOS000684926
1-(3,5-dimethylpiperidin-1-yl)-2-[2-(thiophen-2-ylmethyl)quinazolin-4-yl]sulfanylethanone
HMS2481C04
MLS-0110680.0001
CHEMBL1423516
cid_3221486
bdbm89994
1-(3,5-dimethylpiperidino)-2-[[2-(2-thenyl)quinazolin-4-yl]thio]ethanone
1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone
1-(3,5-dimethylpiperidin-1-yl)-2-[2-(thiophen-2-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone
Q27196642
AKOS040828490
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
quinazolinesAny organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.
[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 (24)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency5.01730.044717.8581100.0000AID485294; AID485341
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency39.81070.177814.390939.8107AID2147
glp-1 receptor, partialHomo sapiens (human)Potency28.18380.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency18.35640.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency24.84460.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency17.78280.180013.557439.8107AID1460
Smad3Homo sapiens (human)Potency35.48130.00527.809829.0929AID588855
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency28.18380.011212.4002100.0000AID1030
glucocerebrosidaseHomo sapiens (human)Potency15.89120.01268.156944.6684AID2101; AID2588; AID2590; AID2596; AID2671
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency0.70790.707936.904389.1251AID504333
IDH1Homo sapiens (human)Potency35.48130.005210.865235.4813AID686970
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency32.64270.00419.984825.9290AID504444
huntingtin isoform 2Homo sapiens (human)Potency35.48130.000618.41981,122.0200AID1688
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency39.81070.00419.962528.1838AID2675
lamin isoform A-delta10Homo sapiens (human)Potency35.48130.891312.067628.1838AID1487
Fatty-acid amide hydrolase 1Rattus norvegicus (Norway rat)Potency39.81070.631016.842044.6684AID2596
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Mcl-1Homo sapiens (human)IC50 (µMol)54.00000.40007.134454.0000AID1418
corticotropin-releasing hormone receptor 2Homo sapiens (human)IC50 (µMol)4.90330.36807.095518.0000AID602180; AID651639; AID651649
corticotropin releasing factor-binding proteinHomo sapiens (human)IC50 (µMol)4.90330.36807.095518.0000AID602180; AID651639; AID651649
Muscarinic acetylcholine receptor M1Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.773925.1700AID1418
Muscarinic acetylcholine receptor M3Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.891925.1700AID1418
Muscarinic acetylcholine receptor M4Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.747825.1700AID1418
Muscarinic acetylcholine receptor M5Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00052.780225.1700AID1418
Muscarinic acetylcholine receptor M2Rattus norvegicus (Norway rat)IC50 (µMol)54.00000.00053.314249.5000AID1418
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
corticotropin-releasing hormone receptor 2Homo sapiens (human)EC50 (µMol)53.00001.120011.561736.8000AID602473
corticotropin releasing factor-binding proteinHomo sapiens (human)EC50 (µMol)53.00001.120011.561736.8000AID602473
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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 Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]