Page last updated: 2024-12-10

(4-chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-3-benzofuranyl]methanone

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

The compound you're referring to, (4-chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-3-benzofuranyl]methanone, is a complex organic molecule with a specific chemical structure. It's likely an experimental compound, and its importance for research hinges on what it's being investigated for.

Without further context, it's difficult to say precisely why this specific compound is important. However, given its chemical structure, it's likely being explored for its potential biological activity.

Here's why this type of compound might be interesting to researchers:

* **Potential for pharmacological activity:** The presence of various functional groups like chloro, hydroxy, and dimethylamino suggests potential for interacting with biological targets like enzymes, receptors, or even DNA.
* **Structure-activity relationship studies:** Researchers often synthesize and study variations of molecules to understand how structural changes affect their biological activity. This compound might be part of a larger series of related molecules being studied.
* **Lead compound identification:** This compound could be a lead compound – a molecule that shows promising initial activity in biological assays and can then be further optimized for therapeutic use.

**To understand its significance, you'll need to know more about the specific research context, such as:**

* **What biological target is it being studied against?** (e.g., a specific enzyme, receptor, or cancer cell line)
* **What type of activity is being investigated?** (e.g., enzyme inhibition, receptor activation, anti-cancer activity)
* **Is it a novel compound or a derivative of an existing drug?**

Without this additional information, it's impossible to say with certainty why this compound is important for research.

Cross-References

ID SourceID
PubMed CID2839001
CHEMBL ID1447140
CHEBI ID121317

Synonyms (15)

Synonym
HMS1580G03
(4-chlorophenyl){6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-yl}methanone
MLS001000615 ,
smr000496086
OPREA1_613459
CHEBI:121317
HMS2835N16
cid_2839001
(4-chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-3-benzofuranyl]methanone
(4-chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-benzofuran-3-yl]methanone
(4-chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-yl]methanone
bdbm78358
[6,7-bis(chloranyl)-4-[(dimethylamino)methyl]-2-methyl-5-oxidanyl-1-benzofuran-3-yl]-(4-chlorophenyl)methanone
CHEMBL1447140
Q27209853
[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 (22)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Beta-lactamaseEscherichia coli K-12Potency35.48130.044717.8581100.0000AID485341
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency25.11890.140911.194039.8107AID2451
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency44.66840.631035.7641100.0000AID504339
Chain A, Ferritin light chainEquus caballus (horse)Potency39.81075.623417.292931.6228AID485281
glp-1 receptor, partialHomo sapiens (human)Potency11.22020.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency16.35350.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency20.73290.000811.382244.6684AID686978; AID686979
thioredoxin glutathione reductaseSchistosoma mansoniPotency0.31620.100022.9075100.0000AID485364
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency44.66840.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency31.62280.035520.977089.1251AID504332
importin subunit beta-1 isoform 1Homo sapiens (human)Potency4.10955.804836.130665.1308AID540253
eyes absent homolog 2 isoform aHomo sapiens (human)Potency19.01481.199814.641950.1187AID720540
snurportin-1Homo sapiens (human)Potency4.10955.804836.130665.1308AID540253
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency4.10955.804816.996225.9290AID540253
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency100.00000.050127.073689.1251AID588590
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency11.22020.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency11.22020.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency11.22020.15855.287912.5893AID540303
Glycoprotein hormones alpha chainHomo sapiens (human)Potency0.44674.46688.344810.0000AID624291
C-terminal-binding protein 1Homo sapiens (human)Potency15.10400.30149.321019.0148AID720541
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
TPA: protein transporter TIM10Saccharomyces cerevisiae S288CIC50 (µMol)18.60000.580026.547675.8000AID493003
[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)
glycogen synthase kinase-3 alphaHomo sapiens (human)AC507.71300.013529.7434171.7000AID463203
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (25)

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)
negative regulation of transcription by RNA polymerase IIC-terminal-binding protein 1Homo sapiens (human)
protein phosphorylationC-terminal-binding protein 1Homo sapiens (human)
negative regulation of cell population proliferationC-terminal-binding protein 1Homo sapiens (human)
viral genome replicationC-terminal-binding protein 1Homo sapiens (human)
negative regulation of DNA-templated transcriptionC-terminal-binding protein 1Homo sapiens (human)
positive regulation of DNA-templated transcriptionC-terminal-binding protein 1Homo sapiens (human)
synaptic vesicle endocytosisC-terminal-binding protein 1Homo sapiens (human)
white fat cell differentiationC-terminal-binding protein 1Homo sapiens (human)
regulation of cell cycleC-terminal-binding protein 1Homo sapiens (human)
synaptic vesicle clusteringC-terminal-binding protein 1Homo sapiens (human)
regulation of transcription by RNA polymerase IIC-terminal-binding protein 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (14)

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)
transcription corepressor bindingC-terminal-binding protein 1Homo sapiens (human)
chromatin bindingC-terminal-binding protein 1Homo sapiens (human)
transcription corepressor activityC-terminal-binding protein 1Homo sapiens (human)
protein bindingC-terminal-binding protein 1Homo sapiens (human)
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptorC-terminal-binding protein 1Homo sapiens (human)
protein domain specific bindingC-terminal-binding protein 1Homo sapiens (human)
identical protein bindingC-terminal-binding protein 1Homo sapiens (human)
NAD bindingC-terminal-binding protein 1Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingC-terminal-binding protein 1Homo sapiens (human)
DNA-binding transcription factor bindingC-terminal-binding protein 1Homo sapiens (human)
transcription coactivator activityC-terminal-binding protein 1Homo sapiens (human)
transcription coregulator bindingC-terminal-binding protein 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (11)

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)
nucleusC-terminal-binding protein 1Homo sapiens (human)
nucleoplasmC-terminal-binding protein 1Homo sapiens (human)
presynaptic active zone cytoplasmic componentC-terminal-binding protein 1Homo sapiens (human)
glutamatergic synapseC-terminal-binding protein 1Homo sapiens (human)
GABA-ergic synapseC-terminal-binding protein 1Homo sapiens (human)
transcription repressor complexC-terminal-binding protein 1Homo sapiens (human)
nucleusC-terminal-binding protein 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (15)

Assay IDTitleYearJournalArticle
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase 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.
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.
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
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's5 (71.43)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.20

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 Index12.20 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.28 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.20)

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]