The compound you provided, **1-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea**, is a complex organic molecule with several interesting properties.
Here's a breakdown:
**Structure and Properties:**
* **Quinoline Core:** The molecule contains a quinoline core, which is a heterocyclic aromatic system commonly found in pharmaceuticals and natural products. The 3-cyano and 7-methyl substitutions on the quinoline ring likely contribute to its unique biological activity.
* **Thiourea Linker:** The thiourea group (-NH-C(=S)-NH-) is a common functional group that can form hydrogen bonds and interact with biological targets.
* **Substituents:** The compound includes two side chains: one with a morpholine ring and the other with a 3-cyano-7-methyl-2-quinolinyl group. These substituents likely influence the compound's solubility, bioavailability, and overall pharmacological properties.
**Research Importance:**
While the exact research context is not specified, this compound's structure suggests potential for several areas of research:
* **Pharmacology:** The combination of a quinoline core and a thiourea linker suggests potential for activity against various biological targets, including enzymes, receptors, or DNA. This compound could be investigated as a potential drug candidate for a range of diseases.
* **Materials Science:** The molecule's properties, such as its aromatic nature and potential for hydrogen bonding, could make it relevant in the development of new materials. For example, it might be investigated for its potential in polymer science or organic electronics.
* **Biochemistry:** The compound could be used as a tool to study the interactions of proteins and other biomolecules. It could be labeled with radioisotopes or fluorescent tags to track its interactions and elucidate biological pathways.
**To determine the exact research context and significance, you would need more information:**
* **What specific research area is the compound being investigated for?**
* **What are the specific biological targets of interest?**
* **What are the preliminary results or observations that have been made with this compound?**
Once these details are known, you can better understand the compound's importance and its potential applications in research.
ID Source | ID |
---|---|
PubMed CID | 3221623 |
CHEMBL ID | 1559937 |
CHEBI ID | 107262 |
Synonym |
---|
MLS000709823 |
smr000286990 |
CHEBI:107262 |
AKOS000680110 |
1-[2-[(3-cyano-7-methylquinolin-2-yl)amino]ethyl]-3-(3-morpholin-4-ylpropyl)thiourea |
HMS2673H07 |
CHEMBL1559937 |
Q27185484 |
1-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea |
sr-01000343612 |
SR-01000343612-1 |
Class | Description |
---|---|
aminoquinoline | Any member of the class of quinolines in which the quinoline skeleton is substituted by one or more amino or substituted-amino groups. |
[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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 8.9125 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, TYROSYL-DNA PHOSPHODIESTERASE | Homo sapiens (human) | Potency | 25.1189 | 0.0040 | 23.8416 | 100.0000 | AID485290 |
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 22.3872 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 26.8545 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
acid sphingomyelinase | Homo sapiens (human) | Potency | 25.1189 | 14.1254 | 24.0613 | 39.8107 | AID504937 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 16.3535 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686978 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 15.8489 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
67.9K protein | Vaccinia virus | Potency | 31.6228 | 0.0001 | 8.4406 | 100.0000 | AID720580 |
glucocerebrosidase | Homo sapiens (human) | Potency | 35.4813 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 44.6684 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 39.8107 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 100.0000 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 31.6228 | 0.0398 | 16.7842 | 39.8107 | AID1454 |
ras-related protein Rab-9A | Homo sapiens (human) | Potency | 5.6234 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 35.4813 | 0.0079 | 8.2332 | 1,122.0200 | AID2546 |
geminin | Homo sapiens (human) | Potency | 16.3601 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 12.5893 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
[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. |
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. |
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. |
[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] |