Page last updated: 2024-12-10

1-(2-furanylmethyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-oxo-3-pyrrolidinecarboxamide

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

You're describing a chemical compound, likely a small molecule, with a rather complex structure. Let's break down its components and why it might be important for research:

**Understanding the Chemical Structure**

* **1-(2-furanylmethyl)-:** This part indicates a furfuryl group (a furan ring with a CH2 attached) is linked to the nitrogen atom on position 1 of the pyrrolidine ring.
* **N-[2-(methylthio)-1,3-benzothiazol-6-yl]-:** This refers to a benzothiazole ring (fused benzene and thiazole rings) with a methylthio group (SCH3) at position 2 and a nitrogen at position 6. This benzothiazole group is directly attached to the nitrogen atom of the pyrrolidine ring.
* **5-oxo-3-pyrrolidinecarboxamide:** This indicates a pyrrolidine ring (five-membered ring with nitrogen) with a ketone group (C=O) at position 5 and a carboxamide group (CONH2) at position 3.

**Importance in Research**

Given the chemical structure, this compound is likely a **potential drug candidate** or a **probe molecule** for biological research. Here's why:

* **Heterocyclic Rings:** The presence of multiple heterocyclic rings (furan, benzothiazole, pyrrolidine) with different functional groups suggests this molecule could interact with biological targets like enzymes or receptors.
* **Pharmacophore Elements:** The methylthio, carboxamide, and ketone groups are known to be pharmacophore elements, meaning they contribute to the molecule's ability to bind to specific proteins or other biological molecules.
* **Potential Biological Activities:** This compound could potentially exhibit various biological activities, including:
* **Antimicrobial:** The benzothiazole ring is known to be a key structural motif for antibacterial agents.
* **Anti-inflammatory:** The presence of a ketone and carboxamide group suggests possible anti-inflammatory activity.
* **Enzyme Inhibition:** The specific arrangement of functional groups could allow this molecule to bind to and inhibit certain enzymes.
* **Other Activities:** This molecule might have other yet unknown biological activities depending on its interaction with various biological systems.

**To learn more about the importance of this compound, you'll need to:**

1. **Search for its CAS number (Chemical Abstracts Service Registry Number):** This will allow you to find specific information on its potential applications.
2. **Look up publications:** Search in scientific databases like PubMed or Google Scholar for research papers that mention this compound. This will provide context about its potential use in specific fields.

Remember, the specific importance of this compound depends on its biological activity, which is usually determined through experimental studies.

Cross-References

ID SourceID
PubMed CID2998718
CHEMBL ID1504033
CHEBI ID112741

Synonyms (17)

Synonym
HMS1755K03
smr000067002
MLS000098299 ,
CHEBI:112741
MLS002635581
1-(furan-2-ylmethyl)-n-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
HMS2328E17
CHEMBL1504033
sr-01000053369
SR-01000053369-1
1-(furan-2-ylmethyl)-n-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide
1-(2-furfuryl)-5-keto-n-[2-(methylthio)-1,3-benzothiazol-6-yl]pyrrolidine-3-carboxamide
cid_2998718
1-(2-furanylmethyl)-n-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-oxo-3-pyrrolidinecarboxamide
bdbm47560
Q27192857
Z28339996
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzothiazoles
[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 (7)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
thioredoxin glutathione reductaseSchistosoma mansoniPotency50.11870.100022.9075100.0000AID485364
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency31.62280.011212.4002100.0000AID1030
thyroid stimulating hormone receptorHomo sapiens (human)Potency39.81070.001318.074339.8107AID926; AID938
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency19.95260.28189.721235.4813AID2326
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency56.23410.035520.977089.1251AID504332
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency79.43280.00419.962528.1838AID2675
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
glutathione S-transferase, partialHomo sapiens (human)EC50 (µMol)46.87001.512015.624446.8700AID1769
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (15)

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.
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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 (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's5 (71.43)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.20

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 Index12.20 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.28 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.20)

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]