Page last updated: 2024-12-09

1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-indolone

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 molecule with a very specific chemical structure. Let's break it down:

**1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-indolone**

* **1,3-benzodioxol-5-ylmethyl:** This refers to a specific group containing a benzene ring with a five-membered ring attached.
* **3-hydroxy:** This indicates that a hydroxyl group (OH) is attached to the third carbon atom of the molecule.
* **3-[2-(4-methylphenyl)-2-oxoethyl]:** This is a long chain with a ketone group (C=O) and a phenyl group (benzene ring) with a methyl group (CH3) attached to it.
* **2-indolone:** This is a core structure that contains a five-membered ring fused to a benzene ring.

**Why is this molecule important for research?**

Without more context, it's difficult to say exactly why this specific molecule is important. However, based on its structure, it likely has pharmaceutical properties. Here's why:

* **Indolone Derivatives:** Indolone derivatives are known to have a wide range of biological activities, including:
* **Anti-inflammatory:** They can help reduce inflammation.
* **Antioxidant:** They can protect cells from damage caused by free radicals.
* **Anticancer:** Some indolone derivatives show promise as potential cancer treatments.
* **Antimicrobial:** They can fight against bacteria and fungi.
* **Benzodioxol Ring:** This ring system is often found in natural products with biological activity. For example, it's present in piperine, a compound found in black pepper.
* **Other Groups:** The other functional groups present (hydroxyl, ketone, phenyl) are also commonly associated with bioactive molecules.

**To get more specific information:**

You would need to provide more context, such as:

* **The research field:** What area of research is this molecule being studied in (e.g., drug discovery, medicinal chemistry, pharmacology)?
* **Specific research objectives:** What is the purpose of studying this molecule (e.g., finding a new drug for a specific disease)?
* **Experimental data:** Are there any studies or results related to this molecule?

With more information, we can understand the significance of this molecule in a specific research context.

Cross-References

ID SourceID
PubMed CID646082
CHEMBL ID1403824
CHEBI ID115111

Synonyms (21)

Synonym
REGID843777
smr000012937
AK-778/41050986
1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-dihydro-2h-indol-2-one
OPREA1_324110
EU-0013059
1-benzo[1,3]dioxol-5-ylmethyl-3-hydroxy-3-(2-oxo-2-p-tolyl-ethyl)-1,3-dihydro-indol-2-one
MLS000035332 ,
STK214290
CHEBI:115111
1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
AKOS000542735
MLS002538084
HMS2288F17
CCG-21435
AKOS022072295
CHEMBL1403824
SR-01000502274-1
sr-01000502274
Q27196955
1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-indolone
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic ketoneA ketone in which the carbonyl group is attached to an aromatic 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 (11)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency0.70790.044717.8581100.0000AID485294
Chain A, Ferritin light chainEquus caballus (horse)Potency14.12545.623417.292931.6228AID485281
ClpPBacillus subtilisPotency15.84891.995322.673039.8107AID651965
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686978; AID686979
thioredoxin glutathione reductaseSchistosoma mansoniPotency3.54810.100022.9075100.0000AID485364
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency1.41250.011212.4002100.0000AID1030
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency10.00000.28189.721235.4813AID2326
lysosomal alpha-glucosidase preproproteinHomo sapiens (human)Potency28.18380.036619.637650.1187AID1466; AID2242
lamin isoform A-delta10Homo sapiens (human)Potency22.38720.891312.067628.1838AID1487
Neuronal acetylcholine receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency28.18383.548118.039535.4813AID1466
Neuronal acetylcholine receptor subunit beta-2Rattus norvegicus (Norway rat)Potency28.18383.548118.039535.4813AID1466
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (14)

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.
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.
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.
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
AID652178Confirmed Agonists of Novel Allosteric Modulators of the M1 Muscarinic Receptor2013Molecules (Basel, Switzerland), Jan-08, Volume: 18, Issue:1
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (16.67)29.6817
2010's4 (66.67)24.3611
2020's1 (16.67)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.35

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 Index12.35 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.30 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.35)

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%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]