1-(3-methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone is a complex organic compound with a chemical structure that includes a piperidine ring, a quinoxaline ring, and a ketone group. Its importance in research stems from its potential as a:
**1. Ligand for Studying Protein Interactions:**
* The compound's structure contains both hydrophobic and hydrophilic features, making it a potential candidate for binding to various protein targets.
* Its specific binding affinity and selectivity towards certain protein targets can be explored, leading to the development of novel drugs or research tools for studying protein function.
**2. Lead Compound for Drug Discovery:**
* Its chemical structure can be modified to create a library of analogs with diverse pharmacological activities.
* Screening these analogs against disease-relevant targets could identify promising lead compounds for drug development.
**3. Chemical Probe for Biological Studies:**
* Its fluorescent properties (if present) can be utilized to visualize and study biological processes in living cells.
* Its chemical reactivity could be exploited to develop probes for specific biomolecules or enzymes.
**Note:** The exact biological activity and importance of 1-(3-methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone remain to be fully explored. Further research is needed to understand its potential applications and implications.
**Disclaimer:** This information is for educational purposes only. It is not intended to be a substitute for professional medical advice. Consult with a qualified healthcare professional for any health concerns or before making any decisions related to your health or treatment.
| ID Source | ID |
|---|---|
| PubMed CID | 4134237 |
| CHEMBL ID | 1303471 |
| CHEBI ID | 122095 |
| Synonym |
|---|
| MLS000564811 , |
| smr000152016 |
| CHEBI:122095 |
| AKOS001058675 |
| 1-(3-methylpiperidin-1-yl)-2-quinoxalin-2-ylsulfanylethanone |
| HMS2457L18 |
| CHEMBL1303471 |
| 1-(3-methylpiperidin-1-yl)-2-quinoxalin-2-ylsulfanyl-ethanone |
| 1-(3-methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone |
| bdbm114323 |
| 1-(3-methylpiperidino)-2-(quinoxalin-2-ylthio)ethanone |
| cid_4134237 |
| Q27210732 |
| Z31714845 |
| Class | Description |
|---|---|
| quinoxaline derivative | Any naphthyridine derivative that is a derivative of quinoxaline (1,4-naphthyridine). |
| [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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 35.4813 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
| Luciferase | Photinus pyralis (common eastern firefly) | Potency | 23.9341 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
| glp-1 receptor, partial | Homo sapiens (human) | Potency | 25.1189 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
| BRCA1 | Homo sapiens (human) | Potency | 11.2202 | 0.8913 | 7.7225 | 25.1189 | AID624202 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 17.3457 | 0.0041 | 10.8903 | 31.5287 | AID504466; AID504467 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 5.6234 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 4.4668 | 0.0018 | 15.6638 | 39.8107 | AID894 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 0.3663 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
| ras-related protein Rab-9A | Homo sapiens (human) | Potency | 3.1623 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
| DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
| geminin | Homo sapiens (human) | Potency | 29.0929 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
| muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 15.8489 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
| relaxin receptor 1 isoform 1 | Homo sapiens (human) | Potency | 17.7828 | 0.0388 | 14.3501 | 43.6206 | AID2676 |
| neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 6.3096 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
| Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 31.6228 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
| Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 11.5575 | 1.0000 | 10.4756 | 28.1838 | AID1457; AID901 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| major prion protein preproprotein Prp precursor | Homo sapiens (human) | IC50 (µMol) | 5.8730 | 0.9360 | 4.8742 | 8.4840 | AID743453 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| negative regulation of inflammatory response to antigenic stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| renal water homeostasis | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| G protein-coupled receptor signaling pathway | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| regulation of insulin secretion | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| cellular response to glucagon stimulus | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. 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. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. 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. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. 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. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID504787 | Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3): TR-FRET-based biochemical high throughput assay to identify agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear rec | 2006 | Assay and drug development technologies, Jun, Volume: 4, Issue:3 | Development of the high throughput screening assay for identification of agonists of an orphan nuclear receptor. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 2 (33.33) | 29.6817 |
| 2010's | 3 (50.00) | 24.3611 |
| 2020's | 1 (16.67) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
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.
| This Compound (12.41) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 6 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||