Page last updated: 2024-12-09

1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-oxolanylmethyl)urea

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-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-oxolanylmethyl)urea**, is a synthetic molecule. It's important to understand that naming chemical compounds can be complex, and this name likely refers to a specific research compound, not a widely known drug or natural product.

Here's a breakdown of the information we can glean from the name:

* **Structure:** The name gives clues about the structure of the molecule:
* **Urea:** This is the core of the molecule, a simple organic compound with the formula (NH₂)₂CO.
* **(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl:** This part refers to a substituted quinoline ring system. Quinoline is a heterocyclic aromatic compound, and the substituents 6-methoxy and 2-oxo indicate the presence of a methoxy group (OCH₃) at the 6th position and a ketone group (C=O) at the 2nd position. 1H indicates the presence of a hydrogen atom on the nitrogen at the 1st position. The methyl part indicates a CH₃ group attached to the quinoline ring.
* **(4-methoxyphenyl):** This describes a benzene ring with a methoxy group at the 4th position.
* **(2-oxolanylmethyl):** This part is a bit more complex, likely describing a substituted oxolane (tetrahydrofuran) ring system.

* **Importance in Research:**
* **Potential Bioactivity:** The specific structure of the molecule suggests it might possess interesting biological activity. Quinoline derivatives are known to have a range of pharmacological properties, including anti-inflammatory, antimicrobial, and anticancer activities. The presence of methoxy groups can further influence their biological effects.
* **Lead Compound:** It's likely this compound was synthesized in a research lab as part of a drug discovery program. It might be a lead compound, meaning it shows some promising activity, but needs further optimization (like changing substituents) to improve its effectiveness and safety.
* **Structure-Activity Relationship Studies:** Chemists often synthesize a series of related compounds (analogs) like this one to study how changing the structure affects their activity. This is called a structure-activity relationship (SAR) study, and it helps them understand how the molecule interacts with its target and design even more effective compounds.

**To learn more about the importance of this specific compound, you would need to find the relevant research publication or contact the researchers who synthesized and studied it.**

Please keep in mind:

* **Chemical names are often long and complex.** If you have access to a chemical structure database (like PubChem or SciFinder), you can search using the name to find the corresponding structure and additional information.
* **Without a research context, it's impossible to determine the exact significance of this specific compound.**

Cross-References

ID SourceID
PubMed CID649027
CHEMBL ID1423571
CHEBI ID112793

Synonyms (14)

Synonym
smr000004135
OPREA1_119115
1-(6-methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-(4-methoxy-phenyl)-1-(tetrahydro-furan-2-ylmethyl)-urea
MLS000072502 ,
MLS001368512
CHEBI:112793
1-[(6-methoxy-2-oxo-1h-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea
AKOS000783100
HMS2190J21
CHEMBL1423571
Q27193211
1-[(6-methoxy-2-oxo-1h-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-oxolanylmethyl)urea
sr-01000338201
SR-01000338201-1
[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 (10)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, HADH2 proteinHomo sapiens (human)Potency31.62280.025120.237639.8107AID893
Chain B, HADH2 proteinHomo sapiens (human)Potency31.62280.025120.237639.8107AID893
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency31.62280.177814.390939.8107AID2147
ClpPBacillus subtilisPotency31.62281.995322.673039.8107AID651965
15-lipoxygenase, partialHomo sapiens (human)Potency19.95260.012610.691788.5700AID887
phosphopantetheinyl transferaseBacillus subtilisPotency70.79460.141337.9142100.0000AID1490
ATAD5 protein, partialHomo sapiens (human)Potency10.32250.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency17.56450.000811.382244.6684AID686978; AID686979
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency28.18380.011212.4002100.0000AID1030
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency31.62280.001815.663839.8107AID894
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

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.
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.
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]