The compound you provided, **1-[4-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]butyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea**, is a complex organic molecule with a specific chemical structure designed for biological activity. It's likely to be a **potential drug candidate** or a **tool compound** for pharmacological research.
Here's a breakdown of the potential importance of this compound:
* **Structure:** The compound contains multiple functional groups that are known to interact with biological targets:
* **Pyridinyl:** This heterocyclic ring is common in many bioactive compounds.
* **Imidazolyl:** Another important heterocycle, often found in drugs that interact with receptors.
* **Thiourea:** A group known to form hydrogen bonds, potentially involved in binding to biological molecules.
* **Halo substituents (bromo and chloro):** These can influence the compound's properties, such as lipophilicity and target selectivity.
* **Potential Targets:** Given its structural features, the compound might interact with:
* **Receptors:** It could act as an agonist or antagonist of a specific receptor, potentially involved in various biological processes.
* **Enzymes:** The compound could inhibit or activate an enzyme, affecting its activity.
* **Other biological targets:** It might bind to other proteins or molecules involved in cellular function.
* **Research Applications:**
* **Drug discovery:** The compound could be a potential lead compound for developing new drugs targeting specific diseases or conditions.
* **Target identification:** The compound can be used to identify the specific biological targets it interacts with, providing valuable information for further research.
* **Mechanism of action studies:** Investigating how the compound exerts its effects can lead to understanding the underlying mechanisms of a disease or biological process.
* **Structure-activity relationship (SAR) studies:** Modifying the compound's structure and investigating the resulting changes in activity can help optimize its potency and selectivity.
**It's important to note that without further context, it's impossible to definitively state the compound's specific purpose and importance.** Its role in research would depend on the specific research question being addressed.
To understand the importance of this particular compound, you'd need access to more information, such as:
* **The research group or organization that developed it.**
* **The specific biological targets it is intended to interact with.**
* **The scientific publications or patents that describe its synthesis, activity, and potential applications.**
ID Source | ID |
---|---|
PubMed CID | 44820570 |
CHEMBL ID | 1433325 |
CHEBI ID | 92129 |
Synonym |
---|
NCGC00187945-01 |
smr001566911 |
MLS002703106 |
CHEMBL1433325 |
CHEBI:92129 |
Q27163913 |
1-[4-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]butyl]-3-[3-(1h-imidazol-5-yl)propyl]thiourea |
Class | Description |
---|---|
aminopyridine | Compounds containing a pyridine skeleton substituted by one or more amine 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, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 44.6684 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
TDP1 protein | Homo sapiens (human) | Potency | 7.0795 | 0.0008 | 11.3822 | 44.6684 | AID686979 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
67.9K protein | Vaccinia virus | Potency | 4.4668 | 0.0001 | 8.4406 | 100.0000 | AID720579 |
glucocerebrosidase | Homo sapiens (human) | Potency | 0.6352 | 0.0126 | 8.1569 | 44.6684 | AID2590 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 25.1189 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 3.2643 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
Alpha-synuclein | Homo sapiens (human) | Potency | 19.9526 | 0.5623 | 9.3985 | 25.1189 | AID652106 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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 | |||
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. |
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. |
AID1119120 | Inhibition of glucocerebrosidase N370S mutant in spleen homogenates of patient with Gaucher disease using resorufin-beta-D-glucopyranoside as substrate after 20 mins fluorescence assay | 2012 | MedChemComm, 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] |
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 (12.53) 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] |