You are describing a chemical compound with the rather long and technical name 1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester. Let's break it down and understand its significance:
**1. The Compound:**
* **1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester** is an organic molecule containing a complex structure derived from:
* **Indole:** A bicyclic aromatic ring system found in many natural products and pharmaceuticals.
* **Naphthalene:** A fused aromatic hydrocarbon with two benzene rings.
* **Carboxylic acid:** A functional group with the formula -COOH, commonly found in organic acids.
* **Methyl ester:** A derivative of carboxylic acid with a methyl group (-CH3) attached to the oxygen atom.
* **Structure:** The compound features a naphthalene ring connected to the indole ring via a ketone group (C=O). The indole ring also carries a carboxylic acid group, which is further modified as a methyl ester.
**2. Importance in Research:**
This compound, while not a well-known drug itself, is likely a synthetic analog of natural products or a building block for synthesizing new molecules with desired properties. Its potential importance in research stems from several factors:
* **Indole Derivatives:** Indole derivatives are often biologically active. They are found in compounds like serotonin (a neurotransmitter), tryptophan (an amino acid), and various pharmaceuticals. Their structure allows for interactions with biological targets.
* **Naphthalene Derivatives:** Naphthalene derivatives are often used in materials science and as precursors to other important chemicals.
* **Medicinal Chemistry:** The compound might be investigated as a potential drug lead. Its specific structure could offer unique binding properties to biological targets, making it suitable for developing drugs against various diseases.
* **Organic Synthesis:** It could serve as a valuable intermediate in the synthesis of other complex molecules. Its unique structure might allow it to be used as a building block for various synthetic reactions.
**3. Further Research:**
To understand its full potential, further research is needed:
* **Biological Activity:** Scientists need to investigate the compound's interactions with biological systems. This could involve testing its effects on cell cultures, enzymes, or animal models.
* **Pharmacokinetic Properties:** Studies are needed to understand its absorption, distribution, metabolism, and excretion in the body. These factors are crucial for developing a safe and effective drug.
* **Chemical Properties:** Further exploration of its chemical properties (reactivity, stability) can help in optimizing its synthesis and understanding its potential applications.
**In summary:** While the compound's specific applications are not yet established, its complex structure, derived from biologically active components, suggests potential for research in drug discovery, organic synthesis, and materials science.
ID Source | ID |
---|---|
PubMed CID | 2016258 |
CHEMBL ID | 1326235 |
CHEBI ID | 94226 |
Synonym |
---|
smr000438157 |
MLS000762656 |
1-(naphthalene-1-carbonyl)-1h-indole-3-carboxylic acid methyl ester |
STK225183 |
methyl 1-(naphthalen-1-ylcarbonyl)-1h-indole-3-carboxylate |
AKOS003341494 |
methyl 1-(naphthalene-1-carbonyl)indole-3-carboxylate |
BRD-K11072542-001-06-3 |
BRD-K11072542-001-08-9 |
HMS2785H06 |
AB00659475-06 |
CHEMBL1326235 |
CHEBI:94226 |
NCGC00280842-01 |
Q27166006 |
1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester |
Class | Description |
---|---|
indolecarboxamide | |
[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) |
---|---|---|---|---|---|---|---|
glp-1 receptor, partial | Homo sapiens (human) | Potency | 3.5481 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
TDP1 protein | Homo sapiens (human) | Potency | 8.6997 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 31.6228 | 0.1800 | 13.5574 | 39.8107 | AID1468 |
IDH1 | Homo sapiens (human) | Potency | 11.5821 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 63.0957 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
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 | 13.2779 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | Potency | 3.1623 | 0.0580 | 10.6949 | 26.6086 | AID602310 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 5.0119 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 25.1189 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 8.9125 | 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) |
---|---|---|---|---|---|---|---|
scavenger receptor class B member 1 isoform 1 | Mus musculus (house mouse) | AC50 | 24.0290 | 0.0020 | 17.4169 | 260.9550 | AID493194; AID588777 |
[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. |
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 | |||
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. |
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. |
[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] |