The compound you described, **1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(2-furanylmethyl)thiourea**, is a complex organic molecule with potential biological activity. It is a thiourea derivative, a class of compounds known for their diverse pharmacological properties.
**Here's a breakdown of its structure and potential significance:**
* **Thiourea Core:** This compound contains a thiourea functional group (NH-CS-NH). Thioureas are known for their ability to interact with various biological targets, including enzymes, receptors, and DNA.
* **Indole Moiety:** The indole ring system (5-chloro-2-methyl-1H-indol-3-yl) is often found in biologically active molecules. It can contribute to interactions with enzymes, receptors, and other biological systems.
* **Furan Moiety:** The furan ring (2-furanylmethyl) provides additional structural diversity and potential for interactions with biological targets.
* **Alkyl Chains:** The ethyl groups (ethyl and 2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl) can influence the compound's solubility, bioavailability, and interaction with cellular membranes.
**Why it might be important for research:**
* **Potential Biological Activity:** The combination of thiourea, indole, furan, and alkyl chains suggests potential for diverse pharmacological effects. This compound could exhibit activity against a variety of biological targets, including:
* **Enzymes:** It could act as an inhibitor of specific enzymes involved in disease processes.
* **Receptors:** It could bind to specific receptors and modulate their activity.
* **DNA:** It could interact with DNA and potentially interfere with its function.
* **Lead Compound for Drug Discovery:** This compound could serve as a starting point for the development of novel drugs. By modifying its structure, researchers could potentially optimize its activity, selectivity, and pharmacokinetic properties.
* **Understanding Structure-Activity Relationships:** Studying this compound and its analogs could provide valuable insights into how different structural features contribute to its biological activity. This information could guide the design of new and improved drugs.
**Important Note:** This is purely speculative based on the compound's structure. **It is crucial to conduct experimental research to determine its actual biological activity and potential therapeutic applications.**
**To investigate this compound further, you would need to:**
* **Synthesize the compound:** This involves a series of chemical reactions to create the molecule.
* **Test its biological activity:** This could involve in vitro assays (using cells or isolated enzymes) and in vivo studies (using animal models).
* **Evaluate its pharmacokinetic properties:** This would assess how the compound is absorbed, distributed, metabolized, and excreted in the body.
Overall, this thiourea derivative represents a promising candidate for further research and could potentially lead to the development of new therapeutic agents.
ID Source | ID |
---|---|
PubMed CID | 4058359 |
CHEMBL ID | 1488150 |
CHEBI ID | 112426 |
Synonym |
---|
smr000319924 |
MLS000419296 |
CHEBI:112426 |
AKOS001830350 |
1-[2-(5-chloro-2-methyl-1h-indol-3-yl)ethyl]-3-ethyl-1-[(furan-2-yl)methyl]thiourea |
1-[2-(5-chloro-2-methyl-1h-indol-3-yl)ethyl]-3-ethyl-1-(furan-2-ylmethyl)thiourea |
HMS2699D09 |
CHEMBL1488150 |
1-[2-(5-chloro-2-methyl-1h-indol-3-yl)ethyl]-3-ethyl-1-(2-furanylmethyl)thiourea |
Q27192530 |
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) |
---|---|---|---|---|---|---|---|
glp-1 receptor, partial | Homo sapiens (human) | Potency | 5.0119 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
TDP1 protein | Homo sapiens (human) | Potency | 27.5110 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 7.0795 | 0.1800 | 13.5574 | 39.8107 | AID1468 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
PINK1 | Homo sapiens (human) | Potency | 15.8489 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
67.9K protein | Vaccinia virus | Potency | 22.3872 | 0.0001 | 8.4406 | 100.0000 | AID720579 |
Parkin | Homo sapiens (human) | Potency | 15.8489 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
alpha-galactosidase | Homo sapiens (human) | Potency | 31.6228 | 4.4668 | 18.3916 | 35.4813 | AID1467 |
IDH1 | Homo sapiens (human) | Potency | 29.0929 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 50.1187 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 79.4328 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 20.5962 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 63.0957 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
huntingtin isoform 2 | Homo sapiens (human) | Potency | 25.1189 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 39.8107 | 0.0398 | 16.7842 | 39.8107 | AID1454 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 35.4813 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
geminin | Homo sapiens (human) | Potency | 20.7329 | 0.0046 | 11.3741 | 33.4983 | AID624296; AID624297 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 15.8489 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 28.1838 | 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 |
[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) |
---|---|---|---|---|---|---|---|
calpain II, partial | Sus scrofa (pig) | IC50 (µMol) | 9.0505 | 1.7742 | 4.9338 | 7.7087 | AID1420 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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 | |||
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. |
[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] |