The compound you described, **1-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone**, is a **small molecule** with a complex chemical structure containing various functional groups.
While I cannot provide definitive information about its specific research applications without more context, I can highlight some **potential reasons why this compound might be of interest to researchers:**
* **Structure:** The molecule combines different ring systems (benzoxazole, piperidine, quinoline) with various functional groups (fluorine, sulfur, ketone). This complexity could lead to **diverse biological interactions**.
* **Potential Biological Activity:** The presence of a benzoxazole ring, a common motif in pharmaceuticals, suggests **potential for activity against various biological targets**.
* **Synthesis:** The compound's synthesis could pose a challenge for organic chemists, making it an interesting target for **synthetic methodology research**.
* **Drug Discovery:** Given its complex structure and potential for biological activity, the compound could be investigated as a **lead candidate for drug development**.
**To determine the compound's specific significance for research, you would need to consider:**
* **Research area:** Which field is investigating this compound (e.g., medicinal chemistry, pharmacology, material science)?
* **Purpose:** What specific biological target or application is being investigated?
* **Experimental findings:** What are the results of experiments with this compound?
**Therefore, to understand the true importance of this compound for research, you need to consult specialized research articles, databases, and scientific publications.**
| ID Source | ID |
|---|---|
| PubMed CID | 2241612 |
| CHEMBL ID | 1503933 |
| CHEBI ID | 107373 |
| Synonym |
|---|
| CBKINASE1_007626 |
| MLS000050242 |
| 2-({2-[4-(5-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-oxoethyl}thio)-4-methylquinoline |
| smr000077402 |
| CBKINASE1_020026 |
| CHEBI:107373 |
| BRD-K11752047-001-01-1 |
| AKOS000813289 |
| 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone |
| HMS2447P15 |
| 690647-05-3 |
| 1-(4-(5-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)-2-((4-methylquinolin-2-yl)thio)ethanone |
| F3394-1188 |
| CHEMBL1503933 |
| 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone |
| Q27185679 |
| Z275025376 |
| 1-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-[(4-methylquinolin-2-yl)sulfanyl]ethan-1-one |
| Class | Description |
|---|---|
| quinolines | A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring. |
| [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) |
|---|---|---|---|---|---|---|---|
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 20.5962 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
| TDP1 protein | Homo sapiens (human) | Potency | 23.1093 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| PINK1 | Homo sapiens (human) | Potency | 2.8184 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 15.8489 | 0.0013 | 18.0743 | 39.8107 | AID926 |
| glucocerebrosidase | Homo sapiens (human) | Potency | 35.4813 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
| Parkin | Homo sapiens (human) | Potency | 2.8184 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
| lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 11.2202 | 0.0366 | 19.6376 | 50.1187 | AID1466; AID2242 |
| 15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 14.1254 | 0.0018 | 15.6638 | 39.8107 | AID894 |
| chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
| peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 75.6863 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
| DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 10.0000 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
| survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 25.1189 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
| DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 35.4813 | 0.0259 | 11.2398 | 31.6228 | AID602313 |
| Neuronal acetylcholine receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 11.2202 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
| Neuronal acetylcholine receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 11.2202 | 3.5481 | 18.0395 | 35.4813 | AID1466 |
| Alpha-synuclein | Homo sapiens (human) | Potency | 15.8489 | 0.5623 | 9.3985 | 25.1189 | AID652106 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| 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. |
| 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. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| 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. |
| 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. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| AID1159607 | Screen for inhibitors of RMI FANCM (MM2) intereaction | 2016 | Journal 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] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 1 (16.67) | 29.6817 |
| 2010's | 4 (66.67) | 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 (12.35) 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] | ||