Page last updated: 2024-12-10

[2-(3,4-dimethylphenyl)-4-quinolinyl]-(1-piperidinyl)methanone

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

You're asking about a compound with a long and complex name: **[2-(3,4-dimethylphenyl)-4-quinolinyl]-(1-piperidinyl)methanone**. Let's break it down:

**What is it?**

* **Structure:** This is an organic molecule with the following key components:
* **Quinoline:** A nitrogen-containing heterocyclic ring system, often found in pharmaceuticals.
* **Piperidine:** A six-membered ring containing nitrogen, common in medicinal chemistry.
* **3,4-dimethylphenyl:** A benzene ring with two methyl groups attached at positions 3 and 4.
* **Ketone:** A carbonyl group (C=O) linked to a piperidine and a quinoline.

* **Chemical Formula:** The exact chemical formula would depend on the specific isomer (there can be multiple ways the groups are attached). You'd need to consult a chemical database or structure drawing software for this.

**Why is it important for research?**

It's difficult to say definitively why this *specific* compound is important for research without more context. However, its structure and components hint at potential uses:

* **Potential drug activity:** The combination of quinoline, piperidine, and the phenyl ring is common in molecules that exhibit biological activity. This structure might be a starting point for exploring potential drug candidates for various conditions, such as:
* **Anti-inflammatory:** Quinolines are known for their anti-inflammatory properties.
* **Antibacterial:** Some quinoline derivatives are antibacterial agents.
* **Anti-cancer:** Piperidine-based compounds are found in some anticancer drugs.

* **Study of molecular interactions:** The compound could be used to study the interactions between different chemical groups and biological targets.

**Important Note:** To determine the exact research relevance of this compound, you would need to know:

* **The specific isomer:** As mentioned, different arrangements of the groups can significantly affect the properties of the molecule.
* **The research context:** The research aims and specific applications will clarify the importance of this compound.

**To find out more:**

* **Chemical databases:** Search for the compound in databases like PubChem or ChemSpider. This may provide information on its structure, properties, and potential uses.
* **Scientific literature:** Search for relevant scientific publications using keywords like quinoline, piperidine, 3,4-dimethylphenyl, and the specific compound name.

Remember, scientific research is a complex field, and the importance of any particular compound is often determined by the context of the investigation.

Cross-References

ID SourceID
PubMed CID4305995
CHEMBL ID1419771
CHEBI ID105718

Synonyms (15)

Synonym
NCGC00253512-01
[2-(3,4-dimethylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CHEMDIV3_013106 ,
EU-0063968
smr000634757
MLS001031143
CHEBI:105718
BRD-K21094569-001-01-4
HMS1510D16
AKOS002119920
HMS2951J23
CHEMBL1419771
2-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)quinoline
Q27183481
[2-(3,4-dimethylphenyl)-4-quinolinyl]-(1-piperidinyl)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 (16)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency35.48130.044717.8581100.0000AID485341
Chain A, Ferritin light chainEquus caballus (horse)Potency25.11895.623417.292931.6228AID485281
LuciferasePhotinus pyralis (common eastern firefly)Potency2.39340.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency11.22020.01846.806014.1254AID624417
chaperonin-containing TCP-1 beta subunit homologHomo sapiens (human)Potency12.58933.981127.764939.8107AID504842
ATAD5 protein, partialHomo sapiens (human)Potency23.09990.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency19.73470.000811.382244.6684AID686978; AID686979
Smad3Homo sapiens (human)Potency35.48130.00527.809829.0929AID588855
P53Homo sapiens (human)Potency56.23410.07319.685831.6228AID504706
ubiquitin carboxyl-terminal hydrolase 2 isoform aHomo sapiens (human)Potency24.31550.65619.452025.1189AID652173
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency4.46680.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency4.46680.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency4.46680.15855.287912.5893AID540303
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency22.38720.00798.23321,122.0200AID2546
gemininHomo sapiens (human)Potency18.47820.004611.374133.4983AID624296; AID624297
Guanine nucleotide-binding protein GHomo sapiens (human)Potency39.81071.995325.532750.1187AID624288
[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 (15)

Assay IDTitleYearJournalArticle
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase 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.
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's5 (71.43)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.20

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 Index12.20 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.28 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.20)

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]