Page last updated: 2024-12-10

1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(2-oxolanylmethyl)thiourea

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, 1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(2-oxolanylmethyl)thiourea, is a complex organic molecule with a specific structure containing:

* **A thiourea core:** This is a functional group known for its ability to act as a hydrogen bond donor and acceptor.
* **A cyclopentyl ring:** This is a five-membered ring structure that adds bulk and hydrophobicity.
* **A benzimidazole ring:** This is a heterocyclic aromatic ring containing nitrogen atoms.
* **A 2-oxolanylmethyl group:** This is a five-membered cyclic ether with a methyl group attached.

**Why this compound might be important for research:**

* **Potential biological activity:** The combination of various functional groups in this molecule can give it interesting biological properties. Thioureas are often found in compounds with diverse pharmacological activities, including anti-cancer, anti-inflammatory, and antimicrobial effects. The benzimidazole ring is known to be present in drugs like albendazole, used against parasitic infections.
* **Drug discovery:** This compound could serve as a starting point for the development of new drugs or therapeutic agents. Researchers might modify the structure to optimize its activity, selectivity, and bioavailability.
* **Study of structure-activity relationships:** The presence of different functional groups in this molecule allows for the study of how specific structural features influence its biological activity.
* **Materials science:** This molecule might exhibit interesting properties relevant to materials science, such as polymerization or self-assembly.

**Important note:** Without specific research data or context, it is impossible to definitively say what makes this compound truly important. Its significance will depend on the research questions and the findings that emerge from its study.

If you have more information about the context of this compound, such as its potential application or the research it is involved in, I can provide a more specific and informed response.

Cross-References

ID SourceID
PubMed CID3224048
CHEMBL ID1508017
CHEBI ID112375

Synonyms (12)

Synonym
smr000286566
MLS000709699 ,
CHEBI:112375
AKOS000760365
1-cyclopentyl-1-[2-(5,6-dimethyl-1h-benzimidazol-2-yl)ethyl]-3-(oxolan-2-ylmethyl)thiourea
AKOS024316970
CHEMBL1508017
bdbm72557
cid_3224048
1-cyclopentyl-1-[2-(5,6-dimethyl-1h-benzimidazol-2-yl)ethyl]-3-(tetrahydrofurfuryl)thiourea
1-cyclopentyl-1-[2-(5,6-dimethyl-1h-benzimidazol-2-yl)ethyl]-3-(2-oxolanylmethyl)thiourea
Q27192479
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzimidazolesAn organic heterocyclic compound containing a benzene ring fused to an imidazole 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)Potency35.48130.003245.467312,589.2998AID2517
glp-1 receptor, partialHomo sapiens (human)Potency8.91250.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency29.08100.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency24.84460.000811.382244.6684AID686978; AID686979
Smad3Homo sapiens (human)Potency11.22020.00527.809829.0929AID588855
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency8.91250.28189.721235.4813AID2326
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency39.81070.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency50.11870.035520.977089.1251AID504332
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency11.58210.00419.984825.9290AID504444
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency8.91250.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency8.91250.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency8.91250.15855.287912.5893AID540303
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency18.85410.00798.23321,122.0200AID2546; AID2551
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency31.62280.075215.225339.8107AID485360
gemininHomo sapiens (human)Potency6.51310.004611.374133.4983AID624297
neuropeptide S receptor isoform AHomo sapiens (human)Potency12.58930.015812.3113615.5000AID1461
[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)
Hsf1 proteinMus musculus (house mouse)EC50 (µMol)260.00000.160024.4900236.5000AID435004
[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.
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.
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.
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
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 (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]