Page last updated: 2024-12-10

1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea

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 **1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea**, a specific chemical compound. Let's break down what makes it interesting:

**Structure & Composition:**

* **Urea:** This is the core structure of the molecule. It's a simple organic compound with the formula (NH₂)₂CO.
* **Pyrazole:** A 5-membered aromatic ring containing two nitrogen atoms. In this case, it's substituted with a tert-butyl group and a methyl group.
* **3,5-Dichlorophenyl:** A benzene ring with two chlorine atoms attached at positions 3 and 5.

**Importance in Research:**

The importance of this specific urea derivative likely stems from its **potential biological activity**. Urea derivatives are known to exhibit a variety of pharmacological properties, including:

* **Anti-inflammatory effects:** Ureas can modulate inflammation by interacting with various enzymes and pathways.
* **Antimicrobial activity:** Some ureas have been shown to be effective against bacteria and fungi.
* **Anti-cancer properties:** Certain urea compounds have demonstrated potential for cancer treatment.

**Factors Contributing to Potential Activity:**

* **Pyrazole ring:** Pyrazoles are frequently incorporated into drug-like molecules due to their ability to bind to biological targets.
* **tert-Butyl and methyl groups:** These bulky substituents can influence how the compound interacts with receptors and enzymes.
* **3,5-Dichlorophenyl group:** The presence of halogens like chlorine can enhance the molecule's lipophilicity (ability to dissolve in fats), which can affect its ability to cross cell membranes.

**Important Note:** To understand the specific research significance of this compound, you'd need more context. This is a complex molecule, and its importance is likely linked to a particular research project or area of interest (e.g., drug discovery, material science).

**To further explore its importance, you'd need:**

* **The context of the research:** Is it part of a drug discovery program? A study on biological activity?
* **Specific research findings:** What are the effects of this compound on cells, organisms, or specific targets?
* **The researchers involved:** Who are studying this compound and what are their objectives?

By searching for publications and databases related to this compound, you can uncover more details about its research importance.

Cross-References

ID SourceID
PubMed CID2822406
CHEMBL ID1539376
CHEBI ID120578
SCHEMBL ID12682612

Synonyms (10)

Synonym
MLS000860805
smr000459589
n-[3-(tert-butyl)-1-methyl-1h-pyrazol-5-yl]-n'-(3,5-dichlorophenyl)urea
CHEBI:120578
1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-(3,5-dichlorophenyl)urea
SCHEMBL12682612
CHEMBL1539376
1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea
Q27208703
CCG-247342
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
ureas
[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)
Chain A, Beta-lactamaseEscherichia coli K-12Potency39.81070.044717.8581100.0000AID485341
glp-1 receptor, partialHomo sapiens (human)Potency8.91250.01846.806014.1254AID624417
TDP1 proteinHomo sapiens (human)Potency17.35820.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency25.11890.180013.557439.8107AID1468
Smad3Homo sapiens (human)Potency2.81840.00527.809829.0929AID588855
PINK1Homo sapiens (human)Potency19.95262.818418.895944.6684AID624263
ParkinHomo sapiens (human)Potency19.95260.819914.830644.6684AID624263
IDH1Homo sapiens (human)Potency16.36010.005210.865235.4813AID686970
chromobox protein homolog 1Homo sapiens (human)Potency100.00000.006026.168889.1251AID540317
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency19.95260.00798.23321,122.0200AID2551
gemininHomo sapiens (human)Potency7.43600.004611.374133.4983AID624296; AID624297
lamin isoform A-delta10Homo sapiens (human)Potency11.22020.891312.067628.1838AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (15)

Assay IDTitleYearJournalArticle
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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
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.
AID1640019Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a culture of HepG2 cells that were pre-incubated with compounds. Infected hepatocytes emit light due to the luciferase reaction. Assay results are presented as the percent 2018Science (New York, N.Y.), 12-07, Volume: 362, Issue:6419
Open-source discovery of chemical leads for next-generation chemoprotective antimalarials.
AID1640018Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a culture of HepG2 cells that were pre-incubated with compounds. Infected hepatocytes emit light due to the luciferase reaction. Assay results are presented as the percent 2018Science (New York, N.Y.), 12-07, Volume: 362, Issue:6419
Open-source discovery of chemical leads for next-generation chemoprotective antimalarials.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (16.67)29.6817
2010's4 (66.67)24.3611
2020's1 (16.67)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.35

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 Index12.35 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.30 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.35)

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%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]