Page last updated: 2024-12-10

[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-pyridinyl)-1-piperazinyl]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 chemical compound with a rather complex name: **[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone**.

Let's break down why this compound is potentially interesting for research:

**Structure and Components:**

* **Pyrazole Ring:** The core structure is a pyrazole ring (a five-membered ring with two nitrogens). It's a common building block in pharmaceuticals and has a variety of biological activities.
* **Phenyl Groups:** Two phenyl groups (benzene rings) are attached to the pyrazole, potentially contributing to interactions with biological targets.
* **Methyl Group:** A methyl group (CH3) on one phenyl group suggests potential for fine-tuning interactions or altering metabolic properties.
* **Piperazine Ring:** The piperazine ring is known for its ability to bind to receptors and enzymes.
* **Pyridinyl Group:** The pyridinyl group (a nitrogen-containing six-membered ring) is often found in drugs, contributing to pharmacological activity.
* **Methanone (Ketone):** The ketone group connects the pyrazole-containing part to the piperazine-containing part. It's often important for drug metabolism and activity.

**Potential Research Importance:**

Given its structure, this compound could be a candidate for drug development research for several reasons:

* **Targeting Receptors and Enzymes:** The combination of pyrazole, phenyl, piperazine, and pyridinyl groups suggests potential for binding to specific receptors or enzymes in the body.
* **Exploring Biological Activity:** The compound's structure could lead to a variety of biological activities, ranging from anti-inflammatory to anti-cancer.
* **Developing New Drugs:** If this compound demonstrates promising biological activity, it could be optimized and developed into a potential drug for various diseases.

**Research Focus:**

Research on this compound would likely focus on:

* **Synthesizing and Characterizing the Compound:** Ensuring the correct structure and purity of the compound.
* **Evaluating Biological Activity:** Testing the compound in relevant cell lines and animal models to determine its potential effects on various biological systems.
* **Understanding the Mechanism of Action:** Determining how the compound interacts with its targets and how it exerts its effects.
* **Optimizing the Compound:** Making structural changes to enhance its activity, bioavailability, or other desirable properties.

**Important Note:** While this compound's structure hints at potential for research, it's important to remember that:

* **It's just one molecule:** There are countless possibilities for similar compounds with different structures and potential properties.
* **Research is a long process:** Even if initial studies are promising, it takes years of research and development to bring a new drug to market.

If you're interested in learning more about this compound, you can search for it in scientific databases like PubChem or SciFinder. You can also find information on relevant research articles through databases like PubMed.

Cross-References

ID SourceID
PubMed CID3259084
CHEMBL ID1404671
CHEBI ID113220

Synonyms (10)

Synonym
smr000363673
MLS001033170
CHEBI:113220
[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
HMS2680E08
CHEMBL1404671
[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
Q27193687
Z26736144
AKOS033972415
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

ClassDescription
pyridinesAny organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.
piperazines
[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 (17)

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, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency39.81070.177814.390939.8107AID2147
LuciferasePhotinus pyralis (common eastern firefly)Potency15.10140.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency1.99530.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency29.08100.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686978; AID686979
Smad3Homo sapiens (human)Potency35.48130.00527.809829.0929AID588855
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency28.18380.707912.194339.8107AID720542
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency37.65050.011212.4002100.0000AID1030
67.9K proteinVaccinia virusPotency10.00000.00018.4406100.0000AID720580
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency50.11870.707936.904389.1251AID504333
IDH1Homo sapiens (human)Potency32.64270.005210.865235.4813AID686970
chromobox protein homolog 1Homo sapiens (human)Potency56.23410.006026.168889.1251AID540317
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency26.63210.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency18.35640.004611.374133.4983AID624297
DNA dC->dU-editing enzyme APOBEC-3F isoform aHomo sapiens (human)Potency22.38720.025911.239831.6228AID602313
neuropeptide S receptor isoform AHomo sapiens (human)Potency7.94330.015812.3113615.5000AID1461
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

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