Page last updated: 2024-12-09

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone

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

The compound you've described, **1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone**, is a complex organic molecule. While it's not a well-known or widely studied compound, it's likely to be of interest due to its chemical structure and potential for biological activity. Here's why:

* **Structure:** The molecule combines elements of several important heterocyclic ring systems:
* **Isoquinoline:** A nitrogen-containing aromatic ring found in many natural products and pharmaceuticals.
* **Quinazoline:** Another nitrogen-containing aromatic ring system with diverse biological activity.
* **Thioether:** A sulfur-containing functional group that can influence a molecule's properties and interactions.

* **Potential Biological Activity:** The combination of these structural features suggests potential for biological activity. For example, it could:
* **Bind to receptors:** The aromatic rings and nitrogen atoms could interact with receptors on cells, potentially influencing cellular processes.
* **Exhibit enzyme inhibition:** The molecule might be able to bind to and inhibit the activity of certain enzymes.
* **Have antioxidant properties:** The sulfur atom in the thioether could contribute to antioxidant activity.

**Why It's Important for Research:**

This compound is likely to be of interest for research in the following areas:

* **Drug Discovery:** As a new chemical entity, it could serve as a starting point for the development of new drugs with therapeutic potential.
* **Medicinal Chemistry:** Researchers could study the compound's interactions with various biological targets, leading to a deeper understanding of its activity.
* **Materials Science:** The molecule's unique structure could make it suitable for use in materials science, such as in the development of new sensors or catalysts.

**To further understand the compound's importance, we need more information:**

* **What is the specific research question or goal?** Knowing the context helps understand why this particular compound is being investigated.
* **What are the compound's physical and chemical properties?** These properties influence its potential applications.
* **What are the results of preliminary studies?** This information provides insight into the compound's potential activity and future directions for research.

**In summary, while the compound itself might not be widely known, its structure and potential biological activity make it a worthwhile target for research in a variety of fields.** Further investigations are needed to determine its exact properties and potential applications.

Cross-References

ID SourceID
PubMed CID1442646
CHEMBL ID1345722
CHEBI ID112367

Synonyms (10)

Synonym
1-(3,4-dihydro-1h-isoquinolin-2-yl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-ethanone
smr000173431
MLS000556666
CHEBI:112367
1-(3,4-dihydro-1h-isoquinolin-2-yl)-2-(2-propylquinazolin-4-yl)sulfanylethanone
AKOS000684541
HMS2481H12
CHEMBL1345722
Q27192471
1-(3,4-dihydro-1h-isoquinolin-2-yl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
quinazolinesAny organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.
[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 (19)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Ferritin light chainEquus caballus (horse)Potency35.48135.623417.292931.6228AID485281
glp-1 receptor, partialHomo sapiens (human)Potency12.58930.01846.806014.1254AID624417
TDP1 proteinHomo sapiens (human)Potency24.51920.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency39.81070.180013.557439.8107AID1460
67.9K proteinVaccinia virusPotency28.18380.00018.4406100.0000AID720579
IDH1Homo sapiens (human)Potency35.48130.005210.865235.4813AID686970
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency23.10930.00419.984825.9290AID504444
flap endonuclease 1Homo sapiens (human)Potency89.12510.133725.412989.1251AID588795
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency95.28340.425612.059128.1838AID504891
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency12.58930.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency12.58930.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency12.58930.15855.287912.5893AID540303
gemininHomo sapiens (human)Potency26.10110.004611.374133.4983AID624296; AID624297
relaxin receptor 1 isoform 1Homo sapiens (human)Potency22.38720.038814.350143.6206AID2676
lamin isoform A-delta10Homo sapiens (human)Potency35.48130.891312.067628.1838AID1487
Glycoprotein hormones alpha chainHomo sapiens (human)Potency28.18384.46688.344810.0000AID624291
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency22.38721.000010.475628.1838AID1457
[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)
recombinase AMycobacterium tuberculosis H37RvEC50 (µMol)57.50000.018023.2882287.6000AID434968; AID435010
[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)
replicative DNA helicaseMycobacterium tuberculosis H37RvAC5049.98000.057030.7482325.3000AID449749; AID449750
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (14)

Processvia Protein(s)Taxonomy
G protein-coupled receptor signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of cell population proliferationGlycoprotein hormones alpha chainHomo sapiens (human)
hormone-mediated signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
regulation of signaling receptor activityGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of steroid biosynthetic processGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of cell migrationGlycoprotein hormones alpha chainHomo sapiens (human)
thyroid gland developmentGlycoprotein hormones alpha chainHomo sapiens (human)
luteinizing hormone secretionGlycoprotein hormones alpha chainHomo sapiens (human)
organ growthGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIGlycoprotein hormones alpha chainHomo sapiens (human)
negative regulation of organ growthGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone secretionGlycoprotein hormones alpha chainHomo sapiens (human)
thyroid hormone generationGlycoprotein hormones alpha chainHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (3)

Processvia Protein(s)Taxonomy
hormone activityGlycoprotein hormones alpha chainHomo sapiens (human)
protein bindingGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone activityGlycoprotein hormones alpha chainHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (5)

Processvia Protein(s)Taxonomy
extracellular regionGlycoprotein hormones alpha chainHomo sapiens (human)
extracellular spaceGlycoprotein hormones alpha chainHomo sapiens (human)
Golgi lumenGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone complexGlycoprotein hormones alpha chainHomo sapiens (human)
pituitary gonadotropin complexGlycoprotein hormones alpha chainHomo sapiens (human)
extracellular spaceGlycoprotein hormones alpha chainHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

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.
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.
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]