Page last updated: 2024-12-10

2-(1,3-benzodioxol-5-yl)-5-[[2-(4-methoxyphenyl)-4,5-dihydrothiazol-5-yl]methylthio]-1,3,4-oxadiazole

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

You're asking about **2-(1,3-benzodioxol-5-yl)-5-[[2-(4-methoxyphenyl)-4,5-dihydrothiazol-5-yl]methylthio]-1,3,4-oxadiazole**, a complex organic compound with a rather unwieldy name! It's important to understand that this molecule is a research chemical, often referred to by its shorthand name, **[Compound Name]**.

Here's why [Compound Name] is important in research:

* **Pharmacological Activity:** [Compound Name] exhibits promising pharmacological activity as a potential therapeutic agent. This means it might have the ability to interact with biological systems and potentially treat disease. However, the exact mechanism of action and therapeutic potential are still being investigated.

* **Target Specificity:** The structure of [Compound Name] is designed to target specific biological pathways or receptors. This specificity is crucial for developing drugs that are effective and have minimal side effects.

* **Research Tool:** Even if [Compound Name] doesn't become a commercial drug, it might serve as a valuable research tool. Scientists can use it to study the function of the target pathway or receptor it interacts with. This knowledge can then be used to develop new and improved treatments.

**Key Considerations:**

* **Structure-Activity Relationships (SAR):** [Compound Name] may be part of a series of compounds where researchers are modifying the structure to understand how changes affect the compound's activity.
* **Lead Compound:** [Compound Name] could be a lead compound - a promising starting point for developing new drugs with better properties.
* **Safety and Toxicity:** Research into [Compound Name] includes extensive safety and toxicity testing to ensure it is safe for human use.

**To find more information about [Compound Name], you would need to:**

* **Consult Scientific Databases:** Search for the compound name in scientific databases like PubMed or Google Scholar.
* **Look for Research Publications:** Identify articles that discuss the compound's properties, synthesis, or biological activity.
* **Connect with Researchers:** Contact researchers working in the field of drug discovery or medicinal chemistry who may have expertise in the compound.

**Remember:** Without specific context or research findings, it's impossible to provide detailed information about the exact research implications of this compound.

Cross-References

ID SourceID
PubMed CID2999476
CHEMBL ID1418463
CHEBI ID123163

Synonyms (19)

Synonym
MLS000053977
smr000063406
CHEBI:123163
MLS002635527
HMS1727O03
2-(1,3-benzodioxol-5-yl)-5-[[2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
HMS2385I15
TCMDC-143594
CHEMBL1418463
Q27212712
2-(1,3-benzodioxol-5-yl)-5-[[2-(4-methoxyphenyl)-4,5-dihydrothiazol-5-yl]methylthio]-1,3,4-oxadiazole
Z19456393
AKOS033684221
2-(benzo[d][1,3]dioxol-5-yl)-5-(((2-(4-methoxyphenyl)-4,5-dihydrothiazol-5-yl)methyl)thio)-1,3,4-oxadiazole
745033-86-7
way-624876
CS-0891512
HY-155207
antileishmanial agent-23
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzodioxoles
[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 (20)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency100.00000.044717.8581100.0000AID485294
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency39.81070.177814.390939.8107AID2147
LuciferasePhotinus pyralis (common eastern firefly)Potency14.74050.007215.758889.3584AID411; AID588342
ATAD5 protein, partialHomo sapiens (human)Potency32.64270.004110.890331.5287AID504467
USP1 protein, partialHomo sapiens (human)Potency44.66840.031637.5844354.8130AID743255
TDP1 proteinHomo sapiens (human)Potency20.25500.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency2.81840.180013.557439.8107AID1460
Smad3Homo sapiens (human)Potency8.91250.00527.809829.0929AID588855
thyroid stimulating hormone receptorHomo sapiens (human)Potency31.62280.001318.074339.8107AID926; AID938
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency17.78280.28189.721235.4813AID2326
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency22.38720.001815.663839.8107AID894
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency23.10930.00419.984825.9290AID504444
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency35.48133.548119.542744.6684AID743266
huntingtin isoform 2Homo sapiens (human)Potency35.48130.000618.41981,122.0200AID1688
ras-related protein Rab-9AHomo sapiens (human)Potency3.16230.00022.621531.4954AID485297
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency42.56150.425612.059128.1838AID504891
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency15.84890.00798.23321,122.0200AID2551
Guanine nucleotide-binding protein GHomo sapiens (human)Potency15.21121.995325.532750.1187AID624287; AID624288
[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)
Sterol 14-alpha demethylaseTrypanosoma cruzi strain CL BrenerIC50 (µMol)10.00000.00101.707010.0000AID1207588
Carnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)IC50 (µMol)10.00000.12594.244010.0000AID1207588
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (11)

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)
fatty acid metabolic processCarnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)
fatty acid beta-oxidationCarnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)
carnitine shuttleCarnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)
carnitine metabolic processCarnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)
response to blue lightCarnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)
long-chain fatty acid transportCarnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (4)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
carnitine O-palmitoyltransferase activityCarnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)
protein bindingCarnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (3)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
mitochondrionCarnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)
mitochondrial outer membraneCarnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)
mitochondrionCarnitine O-palmitoyltransferase 1, muscle isoformHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (23)

Assay IDTitleYearJournalArticle
AID1159565Trypanosoma cruzi intracellular imaging assay2015Scientific reports, Mar-05, Volume: 5New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159560Leishmania donovani. Primary growth inhibition assay2015Scientific reports, Mar-05, Volume: 5New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159564Intra-macrophage L. donovani assay2015Scientific reports, Mar-05, Volume: 5New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159558TcCYP51 enzymatic inhibition2015Scientific reports, Mar-05, Volume: 5New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159559Trypanosoma cruzi. Primary growth inhibition assay2015Scientific reports, Mar-05, Volume: 5New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159562Trypanosoma brucei growth inhibition luminescent assay2015Scientific reports, Mar-05, Volume: 5New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159563HepG2 cytotoxicity assay2015Scientific reports, Mar-05, Volume: 5New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
AID1159557Trypanosoma brucei. Primary growth inhibition assay2015Scientific reports, Mar-05, Volume: 5New compound sets identified from high throughput phenotypic screening against three kinetoplastid parasites: an open resource.
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.
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.
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.
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.
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.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (8)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (12.50)29.6817
2010's6 (75.00)24.3611
2020's1 (12.50)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.15

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 Index12.15 (24.57)
Research Supply Index2.20 (2.92)
Research Growth Index4.34 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.15)

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%
Other8 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]