Page last updated: 2024-12-09

2-(1H-benzimidazol-2-ylthio)-1-(2,3-dimethyl-1-indolyl)ethanone

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

**2-(1H-benzimidazol-2-ylthio)-1-(2,3-dimethyl-1-indolyl)ethanone** is a chemical compound with a complex structure containing a benzimidazole ring, an indole ring, and a sulfur atom.

**Importance for Research:**

This compound is not widely known or studied, and there is limited information available about its specific research significance. However, its structure and chemical properties suggest potential applications in various fields:

* **Pharmacology:**
* **Antimicrobial activity:** The benzimidazole and indole moieties are known for their antimicrobial properties. This compound could potentially exhibit activity against bacteria, fungi, or parasites.
* **Anti-inflammatory activity:** Indole derivatives are often associated with anti-inflammatory effects. The compound could be investigated for its potential to reduce inflammation.
* **Other biological activities:** The presence of sulfur and the unique structure might confer other biological activities, such as antioxidant or enzyme inhibition properties.

* **Materials Science:**
* **Organic electronics:** The presence of aromatic rings and sulfur could contribute to the compound's conductivity and optical properties, making it potentially useful in organic electronics or optoelectronic devices.

**Further Research:**

To fully understand the importance of 2-(1H-benzimidazol-2-ylthio)-1-(2,3-dimethyl-1-indolyl)ethanone, further research is needed. This could involve:

* **Synthesis and characterization:** Developing efficient synthetic routes to produce the compound and thoroughly characterizing its chemical and physical properties.
* **Biological evaluation:** Conducting in vitro and in vivo studies to assess its biological activities, including antimicrobial, anti-inflammatory, and other potential therapeutic effects.
* **Structure-activity relationship (SAR) studies:** Modifying the compound's structure and evaluating the impact on its activity to identify the key structural features responsible for its biological effects.

**Conclusion:**

While the specific research importance of 2-(1H-benzimidazol-2-ylthio)-1-(2,3-dimethyl-1-indolyl)ethanone is currently unknown, its unique structure suggests potential applications in various fields, particularly in pharmacology and materials science. Further research is necessary to fully explore its potential.

Cross-References

ID SourceID
PubMed CID704124
CHEMBL ID1304345
CHEBI ID121492

Synonyms (22)

Synonym
EU-0080008
MLS000535320-02
MLS000535320 ,
smr000142756
2-{[2-(2,3-dimethyl-1h-indol-1-yl)-2-oxoethyl]thio}-1h-benzimidazole
OPREA1_654835
2-(1h-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethyl-1h-indol-1-yl)ethanone
STK002455
CHEBI:121492
AKOS001667837
2-(1h-benzimidazol-2-ylsulfanyl)-1-(2,3-dimethylindol-1-yl)ethanone
CHEMBL1304345
CCG-113278
HMS2342D18
bdbm82647
2-(1h-benzimidazol-2-ylthio)-1-(2,3-dimethyl-1-indolyl)ethanone
2-(1h-benzimidazol-2-ylthio)-1-(2,3-dimethylindol-1-yl)ethanone
cid_704124
sr-01000503893
SR-01000503893-1
Q27210044
433973-32-1
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
methylindoleAny member of the class of indoles carrying one or more methyl substituents.
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency14.12540.003245.467312,589.2998AID2517
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency9.50560.004023.8416100.0000AID485290; AID489007
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency70.79460.631035.7641100.0000AID504339
Chain A, ATP-DEPENDENT DNA HELICASE Q1Homo sapiens (human)Potency31.50420.125919.1169125.8920AID2549; AID2708; AID504841
Chain A, CruzipainTrypanosoma cruziPotency39.81070.002014.677939.8107AID1476
WRNHomo sapiens (human)Potency26.67950.168331.2583100.0000AID651768
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency35.48130.011212.4002100.0000AID1030
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency28.18380.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency50.11870.035520.977089.1251AID504332
DNA polymerase betaHomo sapiens (human)Potency8.91250.022421.010289.1251AID485314
DNA polymerase eta isoform 1Homo sapiens (human)Potency58.68290.100028.9256213.3130AID588591; AID720502
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency73.72180.050127.073689.1251AID588590; AID720496
DNA polymerase kappa isoform 1Homo sapiens (human)Potency89.12510.031622.3146100.0000AID588579
Polyunsaturated fatty acid lipoxygenase ALOX15BHomo sapiens (human)Potency25.11890.316212.765731.6228AID881
Histamine H2 receptorCavia porcellus (domestic guinea pig)Potency25.11890.00638.235039.8107AID881
[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)
tyrosine-protein phosphatase non-receptor type 11 isoform 1Homo sapiens (human)IC50 (µMol)0.60300.16003.37599.8800AID602367
dual specificity protein phosphatase 3Homo sapiens (human)IC50 (µMol)1.81000.40009.361090.0000AID602374
tyrosine-protein phosphatase non-receptor type 5 isoform aHomo sapiens (human)IC50 (µMol)44.95504.170012.545719.0000AID602372; AID624207
tyrosine-protein phosphatase non-receptor type 22 isoform 1Homo sapiens (human)IC50 (µMol)8.32700.48002.64498.3270AID624241
VifHuman immunodeficiency virus 1IC50 (µMol)39.70000.270034.0015100.0000AID1117319
TatHuman immunodeficiency virus 1IC50 (µMol)100.00000.996039.8009100.0000AID1117361
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1Homo sapiens (human)IC50 (µMol)3.36502.05808.205241.3880AID540297
DNA dC->dU-editing enzyme APOBEC-3G isoform 1Homo sapiens (human)IC50 (µMol)39.70000.270026.3638100.0000AID1117319
bifunctional UDP-N-acetylglucosamine pyrophosphorylase/glucosamine-1-phosphate N-acetyltransferaseMycobacterium tuberculosis H37RvIC50 (µMol)38.21003.910083.9944180.9200AID1376
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (21)

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)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (8)

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