The compound you described is **(2S)-3-(1H-indol-3-yl)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]propanoic acid**. It is a complex molecule with multiple functional groups and is likely a synthetic derivative of a natural product or a drug candidate.
**To understand its importance for research, we need to break down its structure and identify the potential roles of its different components:**
* **(2S)-3-(1H-indol-3-yl)-2-propanoic acid:** This part of the molecule is a derivative of **tryptophan**, an essential amino acid. Tryptophan is known for its role in serotonin synthesis and is involved in various biological processes, including neurotransmission, mood regulation, and sleep.
* **[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino:** This part of the molecule is a complex substituent with several important features:
* **Benzo[c][1]benzopyran:** This is a fused aromatic ring system with potential for pharmacological activity. Compounds containing this scaffold are known to exhibit various biological effects, including anti-inflammatory, anti-cancer, and antioxidant properties.
* **4-methyl-6-oxo:** These substituents may influence the molecule's binding affinity to target proteins and its biological activity.
* **1-oxoethyl]amino:** This group is a **ketoamide**, which could provide the compound with better stability and potential for specific interactions with biological targets.
**Therefore, the compound is likely a synthetic derivative of a natural product or a drug candidate designed to target a specific biological process. It could potentially have the following research applications:**
* **Drug discovery:** The compound could be investigated for its potential to treat various diseases, especially those related to neurotransmission, inflammation, or cancer.
* **Pharmacology:** Studying the compound's interaction with different biological targets can provide valuable insights into its mechanism of action and potential therapeutic effects.
* **Biochemistry:** The compound can be used as a tool to investigate the function of specific enzymes or proteins involved in biological pathways related to tryptophan metabolism or the benzo[c][1]benzopyran scaffold.
* **Materials science:** Due to its complex structure, the compound may exhibit interesting properties relevant to material design, for example, as a potential component of organic electronic devices or drug delivery systems.
**It's crucial to note that without further information about its specific synthesis, biological activity, or intended use, it is impossible to definitively state its exact importance for research.** However, based on its chemical structure, it is likely to be a promising candidate for further investigation in various scientific fields.
ID Source | ID |
---|---|
PubMed CID | 1768585 |
CHEMBL ID | 1361547 |
CHEBI ID | 105006 |
Synonym |
---|
smr000651590 |
MLS001159065 |
CHEBI:105006 |
(2s)-3-(1h-indol-3-yl)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid |
HMS2271F14 |
MLS003901518 |
AB00864521-06 |
CHEMBL1361547 |
(2s)-3-(1h-indol-3-yl)-2-[[2-[(4-methyl-6-oxo-3-benzo[c][1]benzopyranyl)oxy]-1-oxoethyl]amino]propanoic acid |
Q27182678 |
AKOS030501918 |
n-{[(4-methyl-6-oxo-6h-benzo[c]chromen-3-yl)oxy]acetyl}-l-tryptophan |
STL530972 |
(s)-3-(1h-indol-3-yl)-2-(2-((4-methyl-6-oxo-6h-benzo[c]chromen-3-yl)oxy)acetamido)propanoic acid |
Class | Description |
---|---|
N-acyl-L-amino acid | Any N-acylamino acid having L-configuration. |
[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 | 50.1187 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
USP1 protein, partial | Homo sapiens (human) | Potency | 0.3548 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
isocitrate dehydrogenase 1, partial | Homo sapiens (human) | Potency | 63.0957 | 6.3096 | 27.0990 | 79.4328 | AID602179 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 89.1251 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
flap endonuclease 1 | Homo sapiens (human) | Potency | 79.4328 | 0.1337 | 25.4129 | 89.1251 | AID588795 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 75.1930 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 17.7828 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 79.4328 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 6.3096 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
RNA polymerase II cis-regulatory region sequence-specific DNA binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
DNA binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
double-stranded DNA binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
RNA binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
mRNA 3'-UTR binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
protein binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
lipid binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
identical protein binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
pre-mRNA intronic binding | TAR DNA-binding protein 43 | Homo sapiens (human) |
molecular condensate scaffold activity | TAR DNA-binding protein 43 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
intracellular non-membrane-bounded organelle | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleus | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
perichromatin fibrils | TAR DNA-binding protein 43 | Homo sapiens (human) |
mitochondrion | TAR DNA-binding protein 43 | Homo sapiens (human) |
cytoplasmic stress granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nuclear speck | TAR DNA-binding protein 43 | Homo sapiens (human) |
interchromatin granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
chromatin | TAR DNA-binding protein 43 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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. |
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] |