You're asking about **(4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanone**, also known by its more concise name **(4-Chlorophenyl)-3-nitrobenzofuran-5-ylmethanone**.
This compound is a **nitrobenzofuran derivative**. Nitrobenzofurans are a class of organic compounds containing a nitro group attached to a benzofuran ring. They exhibit a range of pharmacological properties, including:
* **Anti-inflammatory activity:** This is attributed to their ability to inhibit certain enzymes involved in inflammation.
* **Antioxidant activity:** Nitrobenzofurans can scavenge free radicals, thus protecting cells from oxidative damage.
* **Antimicrobial activity:** Some nitrobenzofurans show promise as antibacterial and antifungal agents.
* **Potential anticancer activity:** Studies have shown that certain nitrobenzofuran derivatives can inhibit the growth of cancer cells.
**Why (4-Chlorophenyl)-3-nitrobenzofuran-5-ylmethanone is important for research:**
While information on the specific compound you mentioned is limited, its structure suggests it could have potential as a drug candidate due to the following factors:
* **Presence of a nitro group:** This group is commonly found in pharmaceuticals and contributes to their pharmacological activity.
* **Benzofuran core:** The benzofuran core is a versatile scaffold that can be modified to create compounds with diverse properties.
* **Chlorine substitution:** Chlorine atoms are often incorporated into drug molecules to influence their bioavailability and pharmacological activity.
**Further Research:**
To understand the specific importance of this compound, researchers would need to conduct studies investigating:
* **Its biological activity:** This would involve determining its potency against specific targets (e.g., inflammatory enzymes, cancer cells).
* **Its pharmacokinetic properties:** This would involve understanding how the compound is absorbed, distributed, metabolized, and excreted in the body.
* **Its safety profile:** This would involve assessing potential toxicity and adverse effects.
It's important to remember that just because a compound has a potentially interesting structure, it doesn't automatically mean it will be a successful drug. Further research is needed to validate its therapeutic potential.
ID Source | ID |
---|---|
PubMed CID | 1415822 |
CHEMBL ID | 1410091 |
CHEBI ID | 116109 |
Synonym |
---|
MLS000777418 , |
smr000413810 |
(4-chloro-phenyl)-(5-hydroxy-2-methyl-4,6-dinitro-benzofuran-3-yl)-methanone |
(4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-benzofuran-3-yl)methanone |
CHEBI:116109 |
(4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-yl)methanone |
AKOS005458996 |
STK525161 |
(4-chlorophenyl)(5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-yl)methanone |
HMS2769H13 |
REGID_FOR_CID_1415822 |
cid_1415822 |
(4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanone |
bdbm65884 |
(4-chlorophenyl)-(2-methyl-4,6-dinitro-5-oxidanyl-1-benzofuran-3-yl)methanone |
CHEMBL1410091 |
Q27198619 |
sr-01000221851 |
SR-01000221851-1 |
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, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 50.1187 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 26.8545 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 22.3872 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0810 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
USP1 protein, partial | Homo sapiens (human) | Potency | 35.4813 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
TDP1 protein | Homo sapiens (human) | Potency | 23.1093 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 17.7828 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 44.6684 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 7.0795 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 31.6228 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 22.3872 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 18.3564 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 35.4813 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
DNA polymerase beta | Homo sapiens (human) | Potency | 25.1189 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 26.6795 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
eyes absent homolog 2 isoform a | Homo sapiens (human) | Potency | 19.0148 | 1.1998 | 14.6419 | 50.1187 | AID720540 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 28.1838 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 28.1838 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 3.9811 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
plasminogen precursor | Mus musculus (house mouse) | Potency | 3.9811 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 3.9811 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
geminin | Homo sapiens (human) | Potency | 8.1903 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 0.2818 | 0.2512 | 15.8432 | 39.8107 | AID504327 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 2.2387 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 4.4668 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
C-terminal-binding protein 1 | Homo sapiens (human) | Potency | 16.9469 | 0.3014 | 9.3210 | 19.0148 | AID720541 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 44.6684 | 3.9811 | 46.7448 | 112.2020 | AID720708 |
[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) |
---|---|---|---|---|---|---|---|
Chain A, RNA-directed RNA polymerase NS5 | Dengue virus 2 16681-PDK53 | IC50 (µMol) | 61.8800 | 2.3700 | 54.1398 | 100.0000 | AID588689 |
[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) |
---|---|---|---|---|---|---|---|
recombinase A | Mycobacterium tuberculosis H37Rv | EC50 (µMol) | 16.0300 | 0.0180 | 23.2882 | 287.6000 | AID434968; AID435010 |
potassium voltage-gated channel subfamily KQT member 2 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 554.6400 | 0.2300 | 61.1402 | 554.6400 | AID2603 |
[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) |
---|---|---|---|---|---|---|---|
replicative DNA helicase | Mycobacterium tuberculosis H37Rv | AC50 | 117.4595 | 0.0570 | 30.7482 | 325.3000 | AID449749; AID449750 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 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 (12.56) 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 | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |