Page last updated: 2024-12-09

1-[[(2-chlorophenyl)-oxomethyl]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're describing, **1-[[(2-chlorophenyl)-oxomethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea**, is a **synthetic molecule** that has been investigated in chemical research.

While there's no readily available information on the specific importance of this particular molecule for research, we can speculate based on its structure and known properties of similar compounds:

**Potential Importance:**

* **Potential pharmaceutical activity:** The compound incorporates various functional groups (chloro, trifluoromethyl, amide, thiourea) known to be present in molecules with biological activity. Its unique structure could offer potential for interaction with biological targets, potentially leading to therapeutic applications.
* **Synthesis and structure-activity relationship (SAR) studies:** This compound might serve as a starting point or intermediate in the synthesis of other molecules with desired properties. Researchers may investigate its structure-activity relationship to identify modifications that improve its activity or selectivity.
* **Material science applications:** The presence of sulfur and nitrogen atoms, along with aromatic rings, suggests potential for applications in materials science, such as polymers or coatings.

**How to find out more:**

* **Research databases:** Search for the compound's name in databases like PubChem, SciFinder, and Reaxys to find available publications, patents, and other information.
* **Academic search engines:** Use keywords like thiourea, trifluoromethylphenyl, drug discovery, or material science to find relevant research articles.
* **Contact experts:** Reach out to researchers in relevant fields like medicinal chemistry or organic chemistry for further information.

**Important Note:** Without specific context or research focus, it's difficult to determine the exact importance of this particular molecule. You need to provide more information about the specific research area or application you're interested in to understand its significance.

Cross-References

ID SourceID
PubMed CID1926033
CHEMBL ID1454464
CHEBI ID121972

Synonyms (12)

Synonym
smr000212492
MLS000588857 ,
CHEBI:121972
1-[(2-chlorobenzoyl)amino]-3-[3-(trifluoromethyl)phenyl]thiourea
HMS2538P16
AKOS022136179
STL363570
2-[(2-chlorophenyl)carbonyl]-n-[3-(trifluoromethyl)phenyl]hydrazinecarbothioamide
REGID_FOR_CID_1926033
CHEMBL1454464
Q27210595
1-[[(2-chlorophenyl)-oxomethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
[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 (19)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency0.50120.003245.467312,589.2998AID2517
GLS proteinHomo sapiens (human)Potency19.95260.35487.935539.8107AID624170
TDP1 proteinHomo sapiens (human)Potency23.72460.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency35.48130.180013.557439.8107AID1460
Smad3Homo sapiens (human)Potency14.12540.00527.809829.0929AID588855
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency0.63100.707912.194339.8107AID720542
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency8.91250.011212.4002100.0000AID1030
PINK1Homo sapiens (human)Potency50.11872.818418.895944.6684AID624263
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency8.91250.28189.721235.4813AID2326
ParkinHomo sapiens (human)Potency50.11870.819914.830644.6684AID624263
P53Homo sapiens (human)Potency70.79460.07319.685831.6228AID504706
IDH1Homo sapiens (human)Potency18.35640.005210.865235.4813AID686970
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency3.16230.035520.977089.1251AID504332
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency89.12510.354828.065989.1251AID504847
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency28.18383.548119.542744.6684AID743266
huntingtin isoform 2Homo sapiens (human)Potency3.54810.000618.41981,122.0200AID1688
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency11.29470.00798.23321,122.0200AID2546; AID2551
survival motor neuron protein isoform dHomo sapiens (human)Potency1.41250.125912.234435.4813AID1458
lamin isoform A-delta10Homo sapiens (human)Potency12.58930.891312.067628.1838AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

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.
AID1745845Primary 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.
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.
AID651635Viability Counterscreen for Primary 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]