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.
ID Source | ID |
---|---|
PubMed CID | 2839001 |
CHEMBL ID | 1447140 |
CHEBI ID | 121317 |
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 |
Class | Description |
---|---|
aromatic ketone | A 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 | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 35.4813 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
Chain A, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 25.1189 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 44.6684 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 39.8107 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 11.2202 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 16.3535 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 20.7329 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 0.3162 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 44.6684 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 31.6228 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 4.1095 | 5.8048 | 36.1306 | 65.1308 | AID540253 |
eyes absent homolog 2 isoform a | Homo sapiens (human) | Potency | 19.0148 | 1.1998 | 14.6419 | 50.1187 | AID720540 |
snurportin-1 | Homo sapiens (human) | Potency | 4.1095 | 5.8048 | 36.1306 | 65.1308 | AID540253 |
GTP-binding nuclear protein Ran isoform 1 | Homo sapiens (human) | Potency | 4.1095 | 5.8048 | 16.9962 | 25.9290 | AID540253 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 100.0000 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 11.2202 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
plasminogen precursor | Mus musculus (house mouse) | Potency | 11.2202 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 11.2202 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 0.4467 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
C-terminal-binding protein 1 | Homo sapiens (human) | Potency | 15.1040 | 0.3014 | 9.3210 | 19.0148 | AID720541 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
TPA: protein transporter TIM10 | Saccharomyces cerevisiae S288C | IC50 (µMol) | 18.6000 | 0.5800 | 26.5476 | 75.8000 | AID493003 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
glycogen synthase kinase-3 alpha | Homo sapiens (human) | AC50 | 7.7130 | 0.0135 | 29.7434 | 171.7000 | AID463203 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & 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. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. 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. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID651635 | Viability 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] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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.
| This Compound (12.20) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |