Page last updated: 2024-11-13

1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)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 described, **1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea**, is a complex organic molecule. It's likely a synthetic compound, and its significance hinges on its specific biological activity or chemical properties.

Here's why it's important for research, broken down based on its structure and potential applications:

**Structural Features:**

* **Thiourea:** The presence of a thiourea group suggests potential biological activity. Thioureas are known to act as:
* **Ligands:** They can bind to metal ions, potentially impacting enzyme activity or other biological processes.
* **Hydrogen bond donors:** They can form hydrogen bonds with other molecules, influencing interactions and potentially modulating biological pathways.
* **Heterocyclic rings:** The pyridine and imidazole rings are common in bioactive compounds, often involved in:
* **Ligand binding:** They can bind to specific receptors or proteins, influencing cellular signaling.
* **Modulation of enzyme activity:** They can interact with active sites of enzymes, inhibiting or activating their function.
* **Alkyl chains:** The long alkyl chains in the molecule could increase its lipophilicity (ability to dissolve in fats). This could influence:
* **Membrane permeability:** Allowing the compound to pass through cell membranes, potentially affecting intracellular processes.
* **Target specificity:** It could help the compound target specific receptors or enzymes within the cell.

**Potential Research Applications:**

Given the structure, this compound could be investigated for:

* **Drug discovery:** It might possess activity against specific disease targets, such as:
* **Cancer:** Many drugs target specific proteins or enzymes involved in cancer cell growth and proliferation.
* **Infections:** The compound might inhibit the growth of bacteria, fungi, or viruses.
* **Neurological disorders:** Some thioureas exhibit activity in the central nervous system.
* **Materials science:** The compound could be used to develop new materials with specific properties, like:
* **Metal coordination:** It might form complexes with metal ions, potentially leading to new catalysts or sensors.
* **Analytical chemistry:** It could act as a reagent for detecting specific substances.

**Importance for Research:**

The compound's specific importance hinges on its biological activity and the research questions being asked.

To determine its true significance, researchers would need to conduct experiments to:

* **Synthesize the compound:** Ensure its purity and availability.
* **Test its biological activity:** Evaluate its effects on cells, tissues, or organisms.
* **Determine its mechanism of action:** Understand how the compound exerts its effects.
* **Optimize its properties:** Modify the compound's structure to enhance its activity or specificity.

**Note:** Without further context, it's impossible to definitively say why this specific compound is important for research. However, its complex structure and potential for various applications make it a promising candidate for further investigation.

Cross-References

ID SourceID
PubMed CID44820562
CHEMBL ID1358536
CHEBI ID93647

Synonyms (7)

Synonym
NCGC00185837-01
smr001566924
MLS002703119
CHEMBL1358536
CHEBI:93647
1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1h-imidazol-5-yl)propyl]thiourea
Q27165338
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

ClassDescription
dialkylarylamine
tertiary amino compoundA compound formally derived from ammonia by replacing three hydrogen atoms by organyl 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 (4)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency50.11870.631035.7641100.0000AID504339
Smad3Homo sapiens (human)Potency22.38720.00527.809829.0929AID588855
glucocerebrosidaseHomo sapiens (human)Potency6.67590.01268.156944.6684AID2590; AID488854
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency100.00000.425612.059128.1838AID504891
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (12)

Assay IDTitleYearJournalArticle
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
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.
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
AID1119120Inhibition of glucocerebrosidase N370S mutant in spleen homogenates of patient with Gaucher disease using resorufin-beta-D-glucopyranoside as substrate after 20 mins fluorescence assay2012MedChemComm, Jan, Volume: 3, Issue:1
Non-iminosugar glucocerebrosidase small molecule chaperones.
[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: 12.53

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 Index12.53 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.32 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.53)

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]