Page last updated: 2024-12-09

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone

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

The compound you described, **[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone**, is a synthetic chemical compound. It's not widely known, and there's little public information about its specific properties or uses.

**Here's why it's difficult to find specific information:**

* **Novelty:** It's possible this compound is a recent synthesis or a derivative of a known compound. New chemical entities often lack extensive research and public data.
* **Limited Research:** Chemical research is vast. Specific compounds might be studied in a limited context, like a specific lab or research project, without being widely published.
* **Proprietary Information:** The compound's synthesis or potential applications might be protected by patents or proprietary information, preventing public disclosure.

**Importance for Research:**

Without knowing the compound's specific properties and research context, it's difficult to definitively state its importance. However, the presence of certain features in its structure could suggest potential applications:

* **Piperazine Ring:** This ring is common in drugs targeting various receptors and neurotransmitters. It might act as a scaffold for drug development, potentially impacting neurological or pharmacological activity.
* **Benzodioxol Group:** This group is found in various natural products and pharmaceuticals, including some anti-anxiety and anti-depressant medications.
* **Ethylthio Group:** This group could influence the compound's binding affinity and metabolic properties, potentially affecting its activity.

**To determine its significance, you would need to:**

* **Access specific research:** Find publications, patents, or other information about this specific compound or related compounds.
* **Identify the research focus:** Understand the goals of the research that synthesized or studied this compound (e.g., targeting a specific disease, exploring a new drug class).
* **Examine its properties:** Investigate the compound's pharmacological activity, binding affinity, and potential side effects.

**In short, while the compound itself might not be well-known, its structure hints at potential medicinal applications. To understand its true significance, further investigation into its properties and research context is necessary.**

Cross-References

ID SourceID
PubMed CID1091334
CHEMBL ID1497876
CHEBI ID121211

Synonyms (14)

Synonym
MLS000064582
smr000077197
1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(ethylthio)benzoyl]piperazine
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][2-(ethylsulfanyl)phenyl]methanone
STK159324
CHEBI:121211
AKOS000654408
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
MLS002546726
HMS2434F18
CHEMBL1497876
1-[(2h-1,3-benzodioxol-5-yl)methyl]-4-[2-(ethylsulfanyl)benzoyl]piperazine
Q27209740
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
carbonyl compoundAny compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives.
[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 (10)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency3.98110.003245.467312,589.2998AID2517
Chain A, Beta-lactamaseEscherichia coli K-12Potency19.95260.044717.8581100.0000AID485341
Chain A, HADH2 proteinHomo sapiens (human)Potency25.11890.025120.237639.8107AID886
Chain B, HADH2 proteinHomo sapiens (human)Potency25.11890.025120.237639.8107AID886
phosphopantetheinyl transferaseBacillus subtilisPotency50.11870.141337.9142100.0000AID1490
Microtubule-associated protein tauHomo sapiens (human)Potency39.81070.180013.557439.8107AID1468
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency0.39810.28189.721235.4813AID2326
P53Homo sapiens (human)Potency2.81840.07319.685831.6228AID504706
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency7.94330.035520.977089.1251AID504332
huntingtin isoform 2Homo sapiens (human)Potency10.00000.000618.41981,122.0200AID1688
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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
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]