Page last updated: 2024-12-10

[4-(benzenesulfonyl)-1-piperazinyl]-[6-bromo-2-(2-pyridinyl)-4-quinolinyl]methanone

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 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.

Cross-References

ID SourceID
PubMed CID2965497
CHEMBL ID1532981
CHEBI ID114981

Synonyms (13)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
quinolinesA 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 Targets (12)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
ATAD5 protein, partialHomo sapiens (human)Potency3.66110.004110.890331.5287AID504467
USP1 protein, partialHomo sapiens (human)Potency8.91250.031637.5844354.8130AID743255
TDP1 proteinHomo sapiens (human)Potency24.84460.000811.382244.6684AID686978; AID686979
importin subunit beta-1 isoform 1Homo sapiens (human)Potency32.64275.804836.130665.1308AID540253
pyruvate kinase PKM isoform aHomo sapiens (human)Potency25.11890.04017.459031.6228AID1631; AID1634
snurportin-1Homo sapiens (human)Potency32.64275.804836.130665.1308AID540253
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency32.64275.804816.996225.9290AID540253
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
relaxin receptor 1 isoform 1Homo sapiens (human)Potency31.62280.038814.350143.6206AID2676
DNA dC->dU-editing enzyme APOBEC-3F isoform aHomo sapiens (human)Potency1.77830.025911.239831.6228AID602313
Guanine nucleotide-binding protein GHomo sapiens (human)Potency10.00001.995325.532750.1187AID624287
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency11.22021.000010.475628.1838AID1457
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Processvia Protein(s)Taxonomy
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
[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]