Page last updated: 2024-12-10

1-[2-[(3-cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

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.

Cross-References

ID SourceID
PubMed CID3221623
CHEMBL ID1559937
CHEBI ID107262

Synonyms (11)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aminoquinolineAny 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 Targets (18)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency8.91250.003245.467312,589.2998AID2517
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency25.11890.004023.8416100.0000AID485290
Chain A, Beta-lactamaseEscherichia coli K-12Potency22.38720.044717.8581100.0000AID485341
LuciferasePhotinus pyralis (common eastern firefly)Potency26.85450.007215.758889.3584AID588342
acid sphingomyelinaseHomo sapiens (human)Potency25.118914.125424.061339.8107AID504937
ATAD5 protein, partialHomo sapiens (human)Potency16.35350.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686978
Microtubule-associated protein tauHomo sapiens (human)Potency15.84890.180013.557439.8107AID1460
67.9K proteinVaccinia virusPotency31.62280.00018.4406100.0000AID720580
glucocerebrosidaseHomo sapiens (human)Potency35.48130.01268.156944.6684AID2101
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency44.66840.707936.904389.1251AID504333
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency39.81070.035520.977089.1251AID504332
chromobox protein homolog 1Homo sapiens (human)Potency100.00000.006026.168889.1251AID540317
mitogen-activated protein kinase 1Homo sapiens (human)Potency31.62280.039816.784239.8107AID1454
ras-related protein Rab-9AHomo sapiens (human)Potency5.62340.00022.621531.4954AID485297
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency35.48130.00798.23321,122.0200AID2546
gemininHomo sapiens (human)Potency16.36010.004611.374133.4983AID624296
lamin isoform A-delta10Homo sapiens (human)Potency12.58930.891312.067628.1838AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (12)

Assay IDTitleYearJournalArticle
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, 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]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]