Page last updated: 2024-12-09

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-1-butanone

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

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-1-butanone is a chemical compound with the following features:

* **Structure:** It's a derivative of isoquinoline, a heterocyclic aromatic compound containing a benzene ring fused to a pyridine ring. It has a butanone (ketone) group attached to the isoquinoline ring, along with two methoxy groups (CH3O-) at positions 6 and 7 on the ring.
* **Potential Applications:** This compound is a **potential lead compound for drug discovery**. This means it's being studied for its potential to bind to specific biological targets and exert pharmacological effects.

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

While specific information about the research on this compound is not publicly available, compounds like this are important for research because:

* **Diversity of Possible Targets:** Isoquinoline derivatives are known to exhibit a wide range of biological activities, including anti-inflammatory, anti-cancer, anti-microbial, and neuroprotective effects. The specific structure of this compound, with its substituents and ketone group, could potentially interact with different biological targets, leading to novel therapeutic applications.
* **Lead Compound Identification:** By studying the properties and activity of this compound, researchers can gain valuable information about its potential for further development. This can include identifying specific targets, understanding its pharmacokinetic properties (how it's absorbed, distributed, metabolized, and excreted), and optimizing its structure for improved efficacy and safety.
* **Structure-Activity Relationship Studies:** By modifying the structure of this compound, researchers can investigate the relationship between its structure and its biological activity. This allows them to understand which parts of the molecule are essential for its activity and how they can be altered to improve its properties.

**Overall, 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-1-butanone is a promising molecule for research due to its potential to lead to the development of new drugs with therapeutic benefits.**

**Note:** The specific research findings and applications of this compound are not publicly available without further investigation.

Cross-References

ID SourceID
PubMed CID666585
CHEMBL ID1377576
CHEBI ID120655

Synonyms (13)

Synonym
smr000047795
MLS000083613
CHEBI:120655
MLS002584413
1-(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-2-phenylbutan-1-one
NCGC00063722-02
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)-2-phenylbutan-1-one
STK578481
HMS2362P03
AKOS005502407
CHEMBL1377576
Q27208786
1-(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-2-phenyl-1-butanone
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
isoquinolinesA class of organic heteropolycyclic compound consisting of isoquinoline and its substitution 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 (13)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency112.20200.044717.8581100.0000AID485294
Chain A, HADH2 proteinHomo sapiens (human)Potency35.71680.025120.237639.8107AID886; AID893
Chain B, HADH2 proteinHomo sapiens (human)Potency35.71680.025120.237639.8107AID886; AID893
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency39.81070.177814.390939.8107AID2147
glp-1 receptor, partialHomo sapiens (human)Potency12.58930.01846.806014.1254AID624172
TDP1 proteinHomo sapiens (human)Potency14.58100.000811.382244.6684AID686978
thioredoxin glutathione reductaseSchistosoma mansoniPotency56.23410.100022.9075100.0000AID485364
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency39.81070.011212.4002100.0000AID1030
thyroid stimulating hormone receptorHomo sapiens (human)Potency19.95260.001318.074339.8107AID926; AID938
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency20.59620.00419.984825.9290AID504444
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency35.48130.00798.23321,122.0200AID2551
gemininHomo sapiens (human)Potency9.90720.004611.374133.4983AID624296; AID624297
VprHuman immunodeficiency virus 1Potency35.48131.584919.626463.0957AID651644
[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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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]

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]