Page last updated: 2024-12-09

1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea

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

The compound you described, 1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea, is a **small molecule**.

It's important to understand that without additional context, it's difficult to definitively state why this specific compound is important for research. However, we can analyze its structure and draw some inferences about its potential applications.

**Structure and Potential Applications**

* **Thiourea group:** The presence of a thiourea group is a common feature in compounds that exhibit biological activity. Thioureas are known to interact with proteins and enzymes, making them potential candidates for drug discovery.
* **Aromatic rings:** The compound contains an aromatic ring with a 3-trifluoromethylphenyl substituent. This aromatic group can contribute to lipophilicity and increase the compound's ability to interact with biological membranes. The trifluoromethyl group (CF3) is often introduced to enhance the compound's metabolic stability and pharmacokinetic properties.
* **Ethoxy group:** The ethoxy group attached to the aniline ring might influence the compound's solubility and interactions with biological targets.

**Potential Research Areas:**

Based on its structural features, this compound could be of interest in research areas like:

* **Drug discovery:** Its potential to interact with proteins and enzymes could make it a promising lead compound for developing new drugs for various diseases.
* **Material science:** Compounds with thiourea groups are known to have interesting properties, such as self-assembly and supramolecular interactions. This compound could be investigated for its potential in developing novel materials.
* **Analytical chemistry:** Thioureas are used as analytical reagents, and this compound could be investigated for its potential as a chelating agent or a colorimetric sensor.

**Importance for Research:**

The importance of this specific compound will depend on its specific properties and the specific research question being addressed.

**To get a better understanding of its importance, you would need additional information, such as:**

* **What biological activity is it being investigated for?**
* **What is the research goal?**
* **What are the specific properties of the compound that make it relevant to the research?**

Please provide more context so I can give you a more specific answer!

Cross-References

ID SourceID
PubMed CID1929802
CHEMBL ID1465891
CHEBI ID116988

Synonyms (14)

Synonym
MLS001012144 ,
smr000425320
CHEBI:116988
AKOS000352574
1-(4-ethoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea
HMS2781M03
n-(4-ethoxyphenyl)-n'-[3-(trifluoromethyl)phenyl]hydrazine-1,2-dicarbothioamide
STK794851
CHEMBL1465891
cid_1929802
1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
bdbm58157
1-p-phenetyl-3-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]thiourea
Q27203609
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
(trifluoromethyl)benzenesAn organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens.
[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 (24)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency79.43280.044717.8581100.0000AID485294
LuciferasePhotinus pyralis (common eastern firefly)Potency21.33130.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency1.99530.01846.806014.1254AID624417
thioredoxin reductaseRattus norvegicus (Norway rat)Potency31.62280.100020.879379.4328AID588453
phosphopantetheinyl transferaseBacillus subtilisPotency35.48130.141337.9142100.0000AID1490
ATAD5 protein, partialHomo sapiens (human)Potency11.57740.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency35.71680.180013.557439.8107AID1460; AID1468
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency1.25890.011212.4002100.0000AID1030
regulator of G-protein signaling 4Homo sapiens (human)Potency50.11870.531815.435837.6858AID504845
67.9K proteinVaccinia virusPotency29.90330.00018.4406100.0000AID720579; AID720580
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency56.23410.707936.904389.1251AID504333
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency9.92370.036619.637650.1187AID2100
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency12.99530.00419.984825.9290AID504444
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency16.83360.168316.404067.0158AID720504
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency2.81840.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency12.58930.00798.23321,122.0200AID2551
gemininHomo sapiens (human)Potency16.36010.004611.374133.4983AID624296
histone acetyltransferase KAT2A isoform 1Homo sapiens (human)Potency28.18380.251215.843239.8107AID504327
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
neuropeptide Y receptor type 1Homo sapiens (human)EC50 (µMol)27.31609.79609.79609.7960AID2208
streptokinase A precursorStreptococcus pyogenes M1 GASEC50 (µMol)150.00000.06008.9128130.5170AID1902; AID1914
Estrogen receptorRattus norvegicus (Norway rat)EC50 (µMol)150.00000.006022.3670130.5170AID1914
Estrogen receptor betaRattus norvegicus (Norway rat)EC50 (µMol)150.00000.006022.3670130.5170AID1914
[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.
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.
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.
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.
AID651635Viability Counterscreen for Primary 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.
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 (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]