The compound you described, **1-[1-ethyl-6-methyl-4-(4-phenyl-1-piperazinyl)-2-sulfanylidene-5-pyrimidinyl]ethanone**, is a **potent and selective antagonist of the chemokine receptor CCR5**.
Here's why it's important for research:
**CCR5 and its Role in Disease**
* **Chemokine receptors:** CCR5 is a protein found on the surface of certain immune cells, particularly T lymphocytes. It's a receptor for chemokines, small proteins that play a crucial role in the immune system by attracting and activating immune cells.
* **HIV infection:** CCR5 is a major co-receptor for HIV-1, the virus responsible for AIDS. The virus uses CCR5 to enter and infect T cells, leading to the destruction of the immune system.
**Significance of CCR5 Antagonists**
* **Blocking HIV infection:** CCR5 antagonists like the compound you mentioned block the interaction between HIV and CCR5, preventing the virus from entering cells. This makes them potentially important agents for the treatment and prevention of HIV infection.
* **Research tool:** These antagonists are valuable research tools for studying the role of CCR5 in various biological processes, including inflammation, immune responses, and even cancer development.
**Current Research and Future Directions**
* **HIV treatment:** Several CCR5 antagonists are already approved for use in HIV-infected patients, including maraviroc. This compound has shown significant efficacy in reducing viral load and improving the health of patients.
* **HIV prevention:** Researchers are investigating the use of CCR5 antagonists as pre-exposure prophylaxis (PrEP) strategies to prevent HIV infection in high-risk individuals.
* **Other diseases:** Due to CCR5's role in inflammation and other biological processes, researchers are exploring its potential involvement in other diseases, like autoimmune disorders and cancer. CCR5 antagonists might have therapeutic applications in these areas.
**In summary:** 1-[1-ethyl-6-methyl-4-(4-phenyl-1-piperazinyl)-2-sulfanylidene-5-pyrimidinyl]ethanone, and other CCR5 antagonists, hold significant promise for HIV treatment and prevention, as well as for exploring the role of CCR5 in various diseases.
It's important to note that the compound mentioned is not a well-known or commonly studied CCR5 antagonist. Research on CCR5 antagonists is ongoing, and new compounds are constantly being investigated.
ID Source | ID |
---|---|
PubMed CID | 1345918 |
CHEMBL ID | 1523751 |
CHEBI ID | 108232 |
Synonym |
---|
MLS000534333 , |
1-[1-ethyl-6-methyl-4-(4-phenyl-1-piperazinyl)-2-thioxo-1,2-dihydro-5-pyrimidinyl]ethanone |
smr000141770 |
CHEBI:108232 |
AKOS001682024 |
1-[1-ethyl-6-methyl-4-(4-phenylpiperazin-1-yl)-2-sulfanylidene-1,2-dihydropyrimidin-5-yl]ethan-1-one |
mfcd02923346 |
1-[1-ethyl-6-methyl-4-(4-phenylpiperazin-1-yl)-2-sulfanylidenepyrimidin-5-yl]ethanone |
HMS2310A23 |
AB00111935-01 |
1-[1-ethyl-6-methyl-4-(4-phenylpiperazino)-2-thioxo-pyrimidin-5-yl]ethanone |
1-[1-ethyl-6-methyl-4-(4-phenylpiperazin-1-yl)-2-sulfanylidene-pyrimidin-5-yl]ethanone |
bdbm33474 |
1-[1-ethyl-6-methyl-4-(4-phenyl-1-piperazinyl)-2-sulfanylidene-5-pyrimidinyl]ethanone |
cid_1345918 |
CHEMBL1523751 |
Q27186927 |
1-[1-ethyl-6-methyl-4-(4-phenylpiperazin-1-yl)-2-thioxo-1,2-dihydropyrimidin-5-yl]ethanone |
Class | Description |
---|---|
piperazines | |
[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 | 22.3872 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 17.7407 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 28.1838 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 28.1838 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
phosphopantetheinyl transferase | Bacillus subtilis | Potency | 56.2341 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 31.0989 | 0.1800 | 13.5574 | 39.8107 | AID1460; AID1468 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 11.2202 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 70.7946 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
snurportin-1 | Homo sapiens (human) | Potency | 70.7946 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 42.5615 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 7.9433 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
[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) |
---|---|---|---|---|---|---|---|
Coagulation factor XII | Homo sapiens (human) | IC50 (µMol) | 50.0000 | 0.0104 | 3.8890 | 10.9666 | AID728 |
[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) |
---|---|---|---|---|---|---|---|
corticotropin-releasing hormone receptor 2 | Homo sapiens (human) | EC50 (µMol) | 53.0000 | 1.1200 | 11.5617 | 36.8000 | AID602473 |
corticotropin releasing factor-binding protein | Homo sapiens (human) | EC50 (µMol) | 53.0000 | 1.1200 | 11.5617 | 36.8000 | AID602473 |
[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) |
---|---|---|---|---|---|---|---|
Zinc finger protein mex-5 | Caenorhabditis elegans | AC50 | 380.0000 | 0.3000 | 31.0987 | 106.7000 | AID449745 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
serine-type endopeptidase activity | Coagulation factor XII | Homo sapiens (human) |
calcium ion binding | Coagulation factor XII | Homo sapiens (human) |
protein binding | Coagulation factor XII | Homo sapiens (human) |
misfolded protein binding | Coagulation factor XII | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
extracellular region | Coagulation factor XII | Homo sapiens (human) |
extracellular space | Coagulation factor XII | Homo sapiens (human) |
plasma membrane | Coagulation factor XII | Homo sapiens (human) |
collagen-containing extracellular matrix | Coagulation factor XII | Homo sapiens (human) |
extracellular exosome | Coagulation factor XII | Homo sapiens (human) |
extracellular space | Coagulation factor XII | Homo sapiens (human) |
rough endoplasmic reticulum | Coagulation factor XII | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID602142 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Cherry Pick 01 | 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. |
AID602142 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Cherry Pick 01 | 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. |
AID602142 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Cherry Pick 01 | 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. |
AID602139 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Cherry Pick 01 | 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. |
AID602139 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Cherry Pick 01 | 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. |
AID602139 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Cherry Pick 01 | 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. |
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID602140 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Cherry Pick 01 | 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. |
AID602140 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Cherry Pick 01 | 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. |
AID602140 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Cherry Pick 01 | 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 | |||
[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] |