Page last updated: 2024-12-09

[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furanyl)methanone

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

**[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furanyl)methanone** is a complex organic molecule with the following structural features:

* **Triazole ring:** A five-membered ring containing three nitrogen atoms.
* **Phenyl ring:** A six-membered ring containing alternating single and double bonds.
* **Furanyl ring:** A five-membered ring containing one oxygen atom.
* **Methylthio group (CH3S):** A sulfur atom linked to a methyl group.

**Importance in Research:**

This molecule has been investigated for its potential biological activities, particularly as a **fungicide**.

Here's why it is important for research:

* **Anti-fungal activity:** Triazole-based compounds are known for their fungicidal properties. The specific arrangement of substituents on the triazole ring in this molecule could contribute to its effectiveness against specific fungal species.
* **Crop protection:** Fungi can cause significant damage to crops, leading to yield losses. Research into new fungicides like this molecule is crucial for developing sustainable agricultural practices.
* **Drug discovery:** Triazoles are also used in the synthesis of various pharmaceuticals. Understanding the structure-activity relationships of compounds like this could pave the way for developing new drugs for treating fungal infections.
* **Chemical synthesis:** The synthesis of this molecule itself is a complex chemical process, which can provide valuable insights into organic chemistry reactions and synthetic methodologies.

**Note:** It's important to mention that this specific molecule might not have been extensively studied or patented, and there might be other, more widely known triazole-based fungicides with similar structures and applications.

**To fully understand the importance of this molecule, further research would be required to:**

* Determine its specific activity against different fungal species.
* Investigate its mechanism of action.
* Evaluate its environmental impact and potential toxicity.
* Explore its potential applications beyond crop protection.

Overall, [3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furanyl)methanone represents a potential lead compound for the development of new fungicides and other bioactive molecules. It provides a starting point for further research and exploration in the fields of agriculture, medicine, and organic chemistry.

Cross-References

ID SourceID
PubMed CID828535
CHEMBL ID1492668
CHEBI ID115571

Synonyms (13)

Synonym
[3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
MLS000527911 ,
smr000120485
[3-(4-chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazol-1-yl]-furan-2-yl-methanone
CHEBI:115571
AKOS000641728
HMS2174P15
CHEMBL1492668
[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furyl)methanone
cid_828535
[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-(2-furanyl)methanone
bdbm33642
Q27197711
[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 (12)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency7.07950.177814.390939.8107AID2147
glp-1 receptor, partialHomo sapiens (human)Potency1.41250.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency16.79580.004110.890331.5287AID504466; AID504467
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686978
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency6.30960.707936.904389.1251AID504333
DNA polymerase betaHomo sapiens (human)Potency1.12200.022421.010289.1251AID485314
histone-lysine N-methyltransferase 2A isoform 2 precursorHomo sapiens (human)Potency17.78280.010323.856763.0957AID2662
[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)
prothrombinHomo sapiens (human)IC50 (µMol)2.31240.00103.317014.6895AID1215
tyrosine-protein phosphatase non-receptor type 22 isoform 1Homo sapiens (human)IC50 (µMol)79.40000.48002.64498.3270AID435024; AID435027
tyrosine-protein phosphatase non-receptor type 7 isoform 2Homo sapiens (human)IC50 (µMol)79.40000.100012.726563.0000AID435032
[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)
recombinase AMycobacterium tuberculosis H37RvEC50 (µMol)380.00000.018023.2882287.6000AID434968; AID435010
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
replicative DNA helicaseMycobacterium tuberculosis H37RvAC50190.19370.057030.7482325.3000AID449749; AID449750
[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.
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.
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.
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.
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
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]