Page last updated: 2024-12-09

1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea

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

The compound you provided, **1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea**, is a complex organic molecule with a long and descriptive chemical name. To understand its significance, we need to break down its structure and potential applications.

**Structural Features:**

* **1,2,4-Triazole Ring:** This is a five-membered ring containing nitrogen atoms. It is commonly found in pharmaceuticals and agrochemicals. The presence of the triazole ring suggests potential for biological activity.
* **Sulfur (S) and Oxygen (O) Atoms:** These atoms are often involved in interactions with biological molecules and could contribute to the compound's activity.
* **Phenyl Groups:** The phenyl groups (C6H5) are aromatic ring systems, known for their stability and potential for interactions with hydrophobic sites.
* **Chlorine Atom:** This is a halogen atom, and its presence can often enhance a compound's activity.

**Potential Importance for Research:**

This compound's structure suggests potential uses in various research areas, including:

* **Pharmaceutical Research:**
* **Antimicrobial Activity:** The presence of the triazole ring and sulfur atoms could indicate potential antibacterial, antifungal, or antiviral properties. This compound could be investigated for its ability to inhibit the growth of microorganisms.
* **Anti-inflammatory Activity:** The complex structure and presence of heteroatoms could indicate potential for reducing inflammation.
* **Other Therapeutic Targets:** The molecule might exhibit activity against other biological targets, such as cancer cells, enzymes, or receptors.

* **Agrochemical Research:**
* **Herbicidal Activity:** The combination of aromatic rings, sulfur, and nitrogen could indicate potential for controlling weeds.
* **Pesticide Activity:** The molecule might be investigated for its ability to control pests, such as insects or fungi.

**Need for Further Research:**

It is crucial to note that simply observing the structure does not guarantee the compound's biological activity or its suitability for any specific application. Extensive experimental research is necessary to determine:

* **Biological Activity:** The compound's effectiveness against specific targets.
* **Pharmacokinetic Properties:** How the body absorbs, distributes, metabolizes, and eliminates the compound.
* **Toxicity:** The compound's potential safety profile.

**Conclusion:**

1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea is a complex molecule with structural features suggestive of potential biological activity. However, comprehensive research is needed to determine its specific properties and its potential applications in pharmaceutical, agrochemical, or other scientific fields.

Cross-References

ID SourceID
PubMed CID1543050
CHEMBL ID1307849
CHEBI ID123334

Synonyms (16)

Synonym
AKOS002174577
1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylthiourea
MLS000590881 ,
smr000217677
STK011670
2-({[4-(4-chlorophenyl)-5-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetyl)-n-phenylhydrazinecarbothioamide
CHEBI:123334
HMS2550A08
CHEMBL1307849
1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-phenyl-thiourea
cid_1543050
bdbm114492
1-[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-phenyl-thiourea
1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea
Q27213043
315200-52-3
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
triazolesAn azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.
[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 (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency0.28180.003245.467312,589.2998AID2517
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency22.33420.140911.194039.8107AID2451
Chain A, CruzipainTrypanosoma cruziPotency39.81070.002014.677939.8107AID1476
thioredoxin reductaseRattus norvegicus (Norway rat)Potency8.91250.100020.879379.4328AID588453
TDP1 proteinHomo sapiens (human)Potency1.83560.000811.382244.6684AID686978
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency35.48130.707912.194339.8107AID720542
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency15.84890.011212.4002100.0000AID1030
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency10.00000.035520.977089.1251AID504332
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency50.11870.036619.637650.1187AID2100
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency12.92440.00798.23321,122.0200AID2546; AID2551
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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]