The compound you described, **2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile**, is a **small molecule inhibitor** of the enzyme **CDK2**.
**CDK2 (Cyclin-dependent kinase 2)** is a crucial protein involved in cell cycle regulation. It plays a vital role in the transition from the G1 phase to the S phase of the cell cycle, controlling DNA replication.
**Why is this compound important for research?**
* **Cancer Research:** Abnormal regulation of CDK2 activity can contribute to uncontrolled cell growth and tumor development. Inhibiting CDK2 has shown promise as a therapeutic strategy for various cancers. This compound can be a valuable tool for studying CDK2's role in cancer and for developing novel anti-cancer drugs.
* **Cell Cycle Research:** Studying the mechanisms by which this compound inhibits CDK2 can provide valuable insights into the intricate workings of the cell cycle. This knowledge can lead to a better understanding of cell proliferation, differentiation, and apoptosis.
* **Drug Development:** This compound, or its derivatives, could serve as a starting point for developing more potent and selective CDK2 inhibitors. These inhibitors could have applications not only in cancer treatment but also in other areas like inflammatory diseases or autoimmune disorders where cell cycle control is crucial.
**Key Points:**
* This compound is a small molecule inhibitor of CDK2.
* CDK2 is a key enzyme in cell cycle regulation.
* This compound is important for research related to cancer, cell cycle, and drug development.
**It's important to note that the compound's exact structure and properties would need to be investigated further to fully understand its potential applications and limitations.**
ID Source | ID |
---|---|
PubMed CID | 2113664 |
CHEMBL ID | 1375768 |
CHEBI ID | 105956 |
Synonym |
---|
HMS1755H17 |
MLS000054936 , |
smr000066834 |
CHEBI:105956 |
2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3-oxobutanenitrile |
MLS002635714 |
HMS2279E03 |
CHEMBL1375768 |
2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile |
Q27183748 |
Z56984877 |
AKOS034469428 |
Class | Description |
---|---|
organosulfur heterocyclic compound | |
organonitrogen heterocyclic compound | Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms. |
organic heterobicyclic compound | |
thienopyrimidine | A class of aromatic heterobicyclic compounds each of which contains a pyrimidine ring ortho fused to a 5-membered thiophene ring. |
[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, Beta-lactamase | Escherichia coli K-12 | Potency | 44.6684 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, HADH2 protein | Homo sapiens (human) | Potency | 31.6228 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 31.6228 | 0.0251 | 20.2376 | 39.8107 | AID893 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 35.4813 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 39.8107 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
chaperonin-containing TCP-1 beta subunit homolog | Homo sapiens (human) | Potency | 89.1251 | 3.9811 | 27.7649 | 39.8107 | AID504842 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 20.5962 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 23.2626 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Smad3 | Homo sapiens (human) | Potency | 3.5481 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
relaxin receptor 1 isoform 1 | Homo sapiens (human) | Potency | 35.4813 | 0.0388 | 14.3501 | 43.6206 | AID2676 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 17.7828 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 10.4756 | 28.1838 | AID901 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 3.5481 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
intracellular non-membrane-bounded organelle | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleus | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
perichromatin fibrils | TAR DNA-binding protein 43 | Homo sapiens (human) |
mitochondrion | TAR DNA-binding protein 43 | Homo sapiens (human) |
cytoplasmic stress granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nuclear speck | TAR DNA-binding protein 43 | Homo sapiens (human) |
interchromatin granule | TAR DNA-binding protein 43 | Homo sapiens (human) |
nucleoplasm | TAR DNA-binding protein 43 | Homo sapiens (human) |
chromatin | TAR DNA-binding protein 43 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID540299 | A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis | 2010 | Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
AID588519 | A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities | 2011 | Antiviral research, Sep, Volume: 91, Issue:3 | High-throughput screening identification of poliovirus RNA-dependent RNA polymerase 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. |
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. |
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. |
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. |
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 (14.29) | 29.6817 |
2010's | 5 (71.43) | 24.3611 |
2020's | 1 (14.29) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |