Page last updated: 2024-12-09

1-(1,3-benzodioxol-5-ylmethylthio)-[1,2,4]triazolo[4,3-a]quinoline

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

You are describing a chemical compound with a very specific name: **1-(1,3-benzodioxol-5-ylmethylthio)-[1,2,4]triazolo[4,3-a]quinoline**.

Let's break down why it's important for research:

**1. Molecular Structure:**

* **1,3-Benzodioxol:** This is a cyclic structure containing a benzene ring and a dioxole ring, which is a five-membered ring with two oxygen atoms. It's a common structural motif found in various natural products and pharmaceuticals.
* **[1,2,4]Triazolo[4,3-a]quinoline:** This is a fused ring system combining a triazole ring (five-membered ring with three nitrogen atoms) and a quinoline ring (fused benzene and pyridine rings). This kind of structure is often associated with biological activity.
* **(1,3-benzodioxol-5-ylmethylthio):** This describes a substituent group attached to the triazole ring. It's a sulfur-containing group derived from the benzodioxole ring.

**2. Potential Biological Activity:**

The combination of these structural features suggests that this compound might exhibit interesting biological activities. Research involving this compound might explore:

* **Pharmacological Properties:**
* **Antimicrobial Activity:** The triazole and quinoline moieties are often linked to antimicrobial properties. Researchers might investigate its effectiveness against bacteria, fungi, or viruses.
* **Anti-Cancer Activity:** The benzodioxole and triazole rings could be associated with anticancer activity. This would involve investigating its potential to target cancer cells or inhibit tumor growth.
* **Anti-Inflammatory Activity:** The structure might influence the body's inflammatory responses.
* **Mechanism of Action:**
* Researchers would strive to understand how the compound interacts with biological targets (proteins, enzymes, DNA, etc.) and how it exerts its effects.
* **Drug Development:**
* Based on the research findings, scientists might explore the possibility of developing this compound or its derivatives into a potential drug candidate.

**3. Importance for Research:**

Overall, the compound's unique structure and the possibility of possessing biological activity make it a valuable subject for research. The research could lead to new discoveries in medicinal chemistry, pharmacology, and drug development.

**Important Note:** It's crucial to remember that just because a compound has a specific structure doesn't automatically guarantee it will be biologically active or have a specific therapeutic application. Extensive research is needed to determine its true potential.

Cross-References

ID SourceID
PubMed CID2056177
CHEMBL ID1493929
CHEBI ID114376

Synonyms (15)

Synonym
MLS000522273 ,
smr000127541
CHEBI:114376
AKOS000813168
1-(1,3-benzodioxol-5-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline
HMS2253E06
CCG-25262
F1142-6995
1-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-[1,2,4]triazolo[4,3-a]quinoline
690961-55-8
CHEMBL1493929
Q27195776
1-(1,3-benzodioxol-5-ylmethylthio)-[1,2,4]triazolo[4,3-a]quinoline
Z275025702
1-{[(2h-1,3-benzodioxol-5-yl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]quinoline
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
quinolinesA class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine 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 (17)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency12.58930.003245.467312,589.2998AID2517
LuciferasePhotinus pyralis (common eastern firefly)Potency26.85450.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency15.84890.01846.806014.1254AID624172
ATAD5 protein, partialHomo sapiens (human)Potency12.99530.004110.890331.5287AID504467
GLS proteinHomo sapiens (human)Potency35.48130.35487.935539.8107AID624170
Microtubule-associated protein tauHomo sapiens (human)Potency28.18380.180013.557439.8107AID1460
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency22.38720.011212.4002100.0000AID1030
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency3.98110.28189.721235.4813AID2326
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency79.43280.035520.977089.1251AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency25.11890.001815.663839.8107AID894
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency17.78283.548119.542744.6684AID743266
huntingtin isoform 2Homo sapiens (human)Potency5.62340.000618.41981,122.0200AID1688
pyruvate kinase PKM isoform aHomo sapiens (human)Potency14.12540.04017.459031.6228AID1631; AID1634
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency89.12510.425612.059128.1838AID504891
transient receptor potential cation channel subfamily V member 1Homo sapiens (human)Potency102.75700.09120.09120.0912AID623958
Guanine nucleotide-binding protein GHomo sapiens (human)Potency3.98111.995325.532750.1187AID624287
[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)
glycogen synthase kinase-3 alphaHomo sapiens (human)AC50300.00000.013529.7434171.7000AID463203
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Processvia Protein(s)Taxonomy
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 (2)

Processvia Protein(s)Taxonomy
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 (1)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (14)

Assay IDTitleYearJournalArticle
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
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.
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
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 (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (16.67)29.6817
2010's4 (66.67)24.3611
2020's1 (16.67)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.35

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 Index12.35 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.30 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.35)

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%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]