The compound you're asking about, **1-(Chloroacetyl)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol**, is a complex organic molecule with a specific structure:
* **1-(Chloroacetyl):** This part indicates a chloroacetyl group (CH2ClCO-) attached at the first position of the molecule.
* **3-(1H-indol-3-yl):** This indicates an indole ring (a fused benzene-pyrrole system) attached at the third position.
* **5-(4-methoxyphenyl):** This indicates a 4-methoxyphenyl group (a benzene ring with a methoxy group at the fourth position) attached at the fifth position.
* **4,5-dihydro-1H-pyrazol-4-ol:** This indicates a pyrazole ring (a five-membered ring containing nitrogen atoms) with a hydroxyl group (-OH) attached at the fourth position, and a hydrogen atom at the first position.
**Importance in Research:**
This compound is likely a **synthetic molecule** developed for research purposes. Due to its unique structure and potential for biological activity, it could be explored for various applications, such as:
* **Pharmacology:** The presence of the indole ring and other functional groups suggests it might interact with biological targets like receptors or enzymes, potentially having therapeutic effects.
* **Material Science:** The compound's structure could contribute to its physical properties like solubility, melting point, or fluorescence, making it suitable for material development.
* **Chemical Biology:** It can be used to probe and understand complex biological processes by studying its interactions with biological systems.
**However, it's important to note:**
* **The specific importance of this exact compound is unknown without further research.** It could be a lead compound in a drug discovery program, or a reagent used for other research purposes.
* **The exact biological activity or potential applications of this compound are not publicly known.** This information is likely proprietary to the researchers who synthesized it or are studying its properties.
**To determine the specific significance of this compound, you would need to find research articles or publications that mention it.** Databases like PubChem, SciFinder, and Google Scholar can be used to search for relevant information.
ID Source | ID |
---|---|
PubMed CID | 3555173 |
CHEMBL ID | 1366838 |
CHEBI ID | 149806 |
Synonym |
---|
1-(chloroacetyl)-3-(1h-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-4-ol |
zinc03888009 , |
CHEBI:149806 |
EN300-10060 |
790263-76-2 |
2-chloro-1-[4-hydroxy-3-(1h-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-1-yl]ethan-1-one |
HMS2902K20 |
CHEMBL1366838 |
AKOS030694871 |
Z56347140 |
2-chloro-1-[4-hydroxy-5-(1h-indol-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone |
2-chloro-1-(4-hydroxy-3-(1h-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-1-yl)ethan-1-one |
CS-0293597 |
Role | Description |
---|---|
anticoronaviral agent | Any antiviral agent which inhibits the activity of coronaviruses. |
[role 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] |
Class | Description |
---|---|
indoles | Any compound containing an indole skeleton. |
[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) |
---|---|---|---|---|---|---|---|
Nrf2 | Homo sapiens (human) | Potency | 3.9811 | 0.0920 | 8.2222 | 23.1093 | AID624171 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 5.6234 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 12.5893 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
WRN | Homo sapiens (human) | Potency | 89.1251 | 0.1683 | 31.2583 | 100.0000 | AID651768 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 8.1961 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 0.4535 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 8.9125 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
Smad3 | Homo sapiens (human) | Potency | 2.2387 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
67.9K protein | Vaccinia virus | Potency | 19.1180 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
IDH1 | Homo sapiens (human) | Potency | 0.4611 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 89.1251 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 6.3096 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 100.0000 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 5.6234 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
snurportin-1 | Homo sapiens (human) | Potency | 100.0000 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 15.8489 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 11.2947 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
geminin | Homo sapiens (human) | Potency | 2.9552 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
muscleblind-like protein 1 isoform 1 | Homo sapiens (human) | Potency | 39.8107 | 0.0041 | 9.9625 | 28.1838 | AID2675 |
DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | Potency | 2.5119 | 0.0580 | 10.6949 | 26.6086 | AID602310 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 50.1187 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 1.0000 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
[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) |
---|---|---|---|---|---|---|---|
3C-like protease, partial | Infectious bronchitis virus | IC50 (µMol) | 3.5830 | 1.0850 | 5.6067 | 9.8110 | AID1890 |
[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, BCL-2-RELATED PROTEIN A1 | Homo sapiens (human) | EC50 (µMol) | 68.2700 | 8.0570 | 121.1218 | 338.0000 | AID2765 |
recombinase A | Mycobacterium tuberculosis H37Rv | EC50 (µMol) | 1.4245 | 0.0180 | 23.2882 | 287.6000 | AID434968; AID435010 |
bcl-2-like protein 11 isoform 1 | Homo sapiens (human) | EC50 (µMol) | 68.2700 | 8.0570 | 121.1218 | 338.0000 | AID2765 |
[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, BCL-2-RELATED PROTEIN A1 | Homo sapiens (human) | AC50 | 46.3003 | 0.9200 | 95.9176 | 498.8000 | AID449754; AID449755; AID449757 |
PAX8 | Homo sapiens (human) | AC50 | 0.6500 | 0.0488 | 5.4354 | 69.1700 | AID687027 |
replicative DNA helicase | Mycobacterium tuberculosis H37Rv | AC50 | 1.8890 | 0.0570 | 30.7482 | 325.3000 | AID449749; AID449750 |
Bcl-2-like protein 11 | Homo sapiens (human) | AC50 | 62.1900 | 9.8410 | 85.8882 | 287.1000 | AID449757 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
protein binding | Bcl-2-like protein 11 | Homo sapiens (human) |
microtubule binding | Bcl-2-like protein 11 | Homo sapiens (human) |
protein kinase binding | Bcl-2-like protein 11 | Homo sapiens (human) |
guanyl-nucleotide exchange factor activity | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein domain specific binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
cAMP binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
protein binding | Glycoprotein hormones alpha chain | Homo sapiens (human) |
follicle-stimulating hormone activity | Glycoprotein hormones alpha chain | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
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. |
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. |
AID1745845 | 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 (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] |