Page last updated: 2024-12-09

1-[4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone

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

Let's break down the compound 1-[4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone and why it's important for research:

**Understanding the Structure**

* **Chemical Name:** This is a mouthful, but it tells us a lot about the structure of the molecule.
* **Key Functional Groups:**
* **Furanyl:** A five-membered ring with an oxygen atom.
* **Pyrazolyl:** A five-membered ring with two nitrogen atoms.
* **1,2,4-Triazolyl:** A five-membered ring with three nitrogen atoms.
* **Sulfanylidene:** A sulfur atom double-bonded to a carbon atom.
* **Ethanone (Acetophenone):** A benzene ring with a ketone (C=O) group on a side chain.
* **Molecular Framework:** This compound is a complex molecule with a chain of rings connected by various functional groups. The structure suggests potential for interacting with biological systems.

**Potential Importance in Research**

**1. Pharmacological Activity:** The presence of nitrogen-containing heterocycles (like pyrazole and triazole) and sulfur in the molecule hints at potential pharmacological activity. These features are common in drugs targeting:
* **Anti-infective Agents:** Compounds containing heterocycles often show antimicrobial or antiviral activity.
* **Anti-inflammatory Agents:** Some sulfur-containing compounds exhibit anti-inflammatory properties.
* **Other Therapeutic Targets:** The precise biological target and mechanism of action would need to be investigated.

**2. Chemical Synthesis and Modification:** This complex structure could be a starting point for synthesizing related compounds with similar or improved properties. Researchers might modify the molecule (e.g., by adding substituents) to explore structure-activity relationships and optimize its activity.

**3. Material Science:** The molecule's unique structure could have potential applications in materials science, such as:
* **Organic Electronics:** Heterocyclic compounds are sometimes used in organic light-emitting diodes (OLEDs) or solar cells.
* **Sensors:** The molecule's reactivity might be suitable for designing sensors for specific analytes.

**Important Considerations**

* **Lack of Specific Information:** Without more information about the compound's origin, research purpose, or reported activity, it's difficult to pinpoint its exact importance.
* **Research Stage:** It's possible the molecule is in early stages of research, and its significance might only be revealed through further investigation.

**How to Find More Information**

* **Scientific Databases:** You can search for publications related to this compound in databases like PubMed, Scopus, or Web of Science.
* **Chemical Databases:** Resources like PubChem or ChemSpider might provide details about its properties and potential applications.

Remember, understanding the structure of a complex molecule like this can be a starting point for exploring its potential applications in various fields.

Cross-References

ID SourceID
PubMed CID1090776
CHEMBL ID1412721
CHEBI ID112944

Synonyms (20)

Synonym
MLS000527848
smr000120422
1-{4-[3-(5-furan-2-yl-2h-pyrazol-3-yl)-5-mercapto-[1,2,4]triazol-4-yl]-phenyl}-ethanone
BAS 07778938 ,
CHEBI:112944
AKOS000585622
1-[4-[3-[5-(furan-2-yl)-1h-pyrazol-3-yl]-5-sulfanylidene-1h-1,2,4-triazol-4-yl]phenyl]ethanone
HMS2165L24
HMS3311K20
AKOS022097665
STL336981
1-(4-{3-[3-(furan-2-yl)-1h-pyrazol-5-yl]-5-thioxo-1,5-dihydro-4h-1,2,4-triazol-4-yl}phenyl)ethanone
CHEMBL1412721
Q27193408
1-[4-[3-[5-(2-furanyl)-1h-pyrazol-3-yl]-5-sulfanylidene-1h-1,2,4-triazol-4-yl]phenyl]ethanone
sr-01000326418
SR-01000326418-1
1-(4-{3-[5-(furan-2-yl)-1h-pyrazol-3-yl]-5-sulfanyl-4h-1,2,4-triazol-4-yl}phenyl)ethanone
STL559647
AKOS037516671
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic ketoneA ketone in which the carbonyl group is attached to an aromatic ring.
[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 (21)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency39.81070.631035.7641100.0000AID504339
Chain A, CruzipainTrypanosoma cruziPotency12.58930.002014.677939.8107AID1476
WRNHomo sapiens (human)Potency50.11870.168331.2583100.0000AID651768
phosphopantetheinyl transferaseBacillus subtilisPotency50.11870.141337.9142100.0000AID1490
Microtubule-associated protein tauHomo sapiens (human)Potency35.48130.180013.557439.8107AID1460
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency7.07950.707912.194339.8107AID720542
hypothetical protein, conservedTrypanosoma bruceiPotency14.12540.223911.245135.4813AID624173
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency50.11870.707936.904389.1251AID504333
pyruvate kinaseLeishmania mexicana mexicanaPotency12.58930.398113.744731.6228AID1721; AID1722
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency1.58490.035520.977089.1251AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency5.62340.001815.663839.8107AID894
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency1.41250.354828.065989.1251AID504847
importin subunit beta-1 isoform 1Homo sapiens (human)Potency8.19955.804836.130665.1308AID540253
snurportin-1Homo sapiens (human)Potency8.19955.804836.130665.1308AID540253
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency8.19955.804816.996225.9290AID540253
DNA polymerase eta isoform 1Homo sapiens (human)Potency35.48130.100028.9256213.3130AID588591
Polyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)Potency19.95260.316212.765731.6228AID881
Endothelin receptor type BRattus norvegicus (Norway rat)Potency12.58930.562315.160931.6228AID1721
Endothelin-1 receptorRattus norvegicus (Norway rat)Potency12.58930.562315.160931.6228AID1721
Histamine H2 receptorCavia porcellus (domestic guinea pig)Potency19.95260.00638.235039.8107AID881
Guanine nucleotide-binding protein GHomo sapiens (human)Potency2.23871.995325.532750.1187AID624287
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (26)

Processvia Protein(s)Taxonomy
lipid metabolic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
phospholipid metabolic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
apoptotic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
negative regulation of cell population proliferationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
positive regulation of macrophage derived foam cell differentiationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
arachidonic acid metabolic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
negative regulation of cell migrationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
prostate gland developmentPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
regulation of epithelial cell differentiationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
positive regulation of chemokine productionPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
positive regulation of peroxisome proliferator activated receptor signaling pathwayPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
positive regulation of keratinocyte differentiationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
negative regulation of cell cyclePolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
negative regulation of growthPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
hepoxilin biosynthetic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
endocannabinoid signaling pathwayPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
cannabinoid biosynthetic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
lipoxin A4 biosynthetic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
linoleic acid metabolic processPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
lipid oxidationPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
lipoxygenase pathwayPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (10)

Processvia Protein(s)Taxonomy
iron ion bindingPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
calcium ion bindingPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
protein bindingPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
lipid bindingPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
linoleate 13S-lipoxygenase activityPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
arachidonate 8(S)-lipoxygenase activityPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
arachidonate 15-lipoxygenase activityPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
linoleate 9S-lipoxygenase activityPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (8)

Processvia Protein(s)Taxonomy
nucleusPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
cytosolPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
cytoskeletonPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
plasma membranePolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
adherens junctionPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
focal adhesionPolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
membranePolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
extracellular exosomePolyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
[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]