The compound you've described, **[4-(benzenesulfonyl)-1-piperazinyl]-[6-bromo-2-(2-pyridinyl)-4-quinolinyl]methanone**, is a complex organic molecule with a very specific structure. It's important to understand that this is not a common, widely known compound.
Without more context, it's impossible to definitively say why it's important for research. However, based on its structure, it likely falls within the realm of **potential drug candidates**, particularly due to the presence of several functional groups and the inclusion of heterocyclic rings. Here's why:
* **Heterocyclic rings:** The presence of pyridine and quinoline rings within the molecule suggests it could interact with biological targets (e.g., proteins, enzymes) in a specific manner. These rings are often found in molecules that exhibit biological activity.
* **Functional groups:** The benzenesulfonyl group (a sulfonamide), piperazine ring, and the ketone functional group are all commonly found in drugs. They can contribute to properties like binding affinity, metabolic stability, and pharmacokinetic behavior.
* **Halogenation:** The bromine atom can influence the molecule's properties, potentially increasing its lipophilicity (ability to cross cell membranes) or altering its reactivity.
**To determine the specific importance of this compound for research, you'd need more information such as:**
* **Its specific biological activity:** Is it a potential inhibitor for a particular enzyme? Does it have any activity against specific diseases?
* **Its structure-activity relationships (SAR):** How does modifying the molecule (e.g., changing the halogen, removing the piperazine) affect its activity?
* **Its pre-clinical studies:** Has it been tested in animal models? What are the results?
* **Its current stage of development:** Is it in early discovery, clinical trials, or has it already been approved as a drug?
**In conclusion:** While the structure of this compound suggests potential for medicinal chemistry research, its actual importance depends on its specific biological activity and its role in drug discovery or other scientific investigations.
ID Source | ID |
---|---|
PubMed CID | 2965497 |
CHEMBL ID | 1532981 |
CHEBI ID | 114981 |
Synonym |
---|
6-bromo-4-{[4-(phenylsulfonyl)-1-piperazinyl]carbonyl}-2-(2-pyridinyl)quinoline |
smr000300551 |
MLS000862498 |
STK460336 |
[6-bromo-2-(pyridin-2-yl)quinolin-4-yl][4-(phenylsulfonyl)piperazin-1-yl]methanone |
CHEBI:114981 |
AKOS003346087 |
HMS2663L10 |
[4-(benzenesulfonyl)piperazin-1-yl]-(6-bromo-2-pyridin-2-ylquinolin-4-yl)methanone |
MLS003907225 |
CHEMBL1532981 |
Q27196825 |
[4-(benzenesulfonyl)-1-piperazinyl]-[6-bromo-2-(2-pyridinyl)-4-quinolinyl]methanone |
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 | 3.6611 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
USP1 protein, partial | Homo sapiens (human) | Potency | 8.9125 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
TDP1 protein | Homo sapiens (human) | Potency | 24.8446 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 32.6427 | 5.8048 | 36.1306 | 65.1308 | AID540253 |
pyruvate kinase PKM isoform a | Homo sapiens (human) | Potency | 25.1189 | 0.0401 | 7.4590 | 31.6228 | AID1631; AID1634 |
snurportin-1 | Homo sapiens (human) | Potency | 32.6427 | 5.8048 | 36.1306 | 65.1308 | AID540253 |
GTP-binding nuclear protein Ran isoform 1 | Homo sapiens (human) | Potency | 32.6427 | 5.8048 | 16.9962 | 25.9290 | AID540253 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
relaxin receptor 1 isoform 1 | Homo sapiens (human) | Potency | 31.6228 | 0.0388 | 14.3501 | 43.6206 | AID2676 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 1.7783 | 0.0259 | 11.2398 | 31.6228 | AID602313 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 10.0000 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 11.2202 | 1.0000 | 10.4756 | 28.1838 | AID1457 |
[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 |
---|---|---|---|---|
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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. |
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. |
[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 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |