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.
ID Source | ID |
---|---|
PubMed CID | 3259084 |
CHEMBL ID | 1404671 |
CHEBI ID | 113220 |
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 |
Class | Description |
---|---|
pyridines | Any 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 35.4813 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 39.8107 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 15.1014 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 1.9953 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0810 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 28.1838 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 37.6505 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
67.9K protein | Vaccinia virus | Potency | 10.0000 | 0.0001 | 8.4406 | 100.0000 | AID720580 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 50.1187 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
IDH1 | Homo sapiens (human) | Potency | 32.6427 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 56.2341 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 26.6321 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
geminin | Homo sapiens (human) | Potency | 18.3564 | 0.0046 | 11.3741 | 33.4983 | AID624297 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 22.3872 | 0.0259 | 11.2398 | 31.6228 | AID602313 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 7.9433 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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] |