The compound you're asking about, **[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]-cyclopropylmethanone**, is a complex organic molecule with potential relevance to medicinal chemistry research. It exhibits a unique structural arrangement containing multiple functional groups, including:
* **Amino group (-NH2):** This group is known for its ability to form hydrogen bonds, which can play a role in interactions with biological targets.
* **Thiophene ring:** This aromatic heterocyclic ring is found in various bioactive molecules.
* **Trifluoromethyl group (-CF3):** This group enhances lipophilicity, which can influence the molecule's ability to cross cell membranes.
* **Thieno[2,3-b]pyridine core:** This bicyclic system provides a rigid framework and may contribute to drug-like properties.
* **Cyclopropylmethanone moiety:** This functional group is known to exhibit interesting pharmacological activities.
**Why it is important for research:**
The presence of these diverse functional groups suggests that this molecule could possess interesting biological activity. Therefore, it's a potential candidate for:
* **Drug discovery:** Researchers might investigate its potential to bind to specific biological targets, leading to the development of new drugs for various conditions.
* **Lead optimization:** This compound could serve as a starting point for developing more potent and selective drug candidates by modifying its structure.
* **Pharmacokinetic studies:** Researchers could study how this molecule is absorbed, distributed, metabolized, and excreted in the body, which is crucial for drug development.
**However, it's important to note that:**
* **There is no readily available information on the specific biological activity of this compound.**
* **Its synthesis, characterization, and biological evaluation require specialized knowledge and resources.**
In conclusion, [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]-cyclopropylmethanone is a complex molecule with potential implications for medicinal chemistry research. Further investigation is needed to understand its properties and assess its suitability for drug development.
ID Source | ID |
---|---|
PubMed CID | 1039936 |
CHEMBL ID | 1598441 |
CHEBI ID | 122126 |
Synonym |
---|
CBMICRO_021773 |
[3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](cyclopropyl)methanone |
smr000141388 |
MLS000533951 , |
BIM-0021815.P001 |
CHEBI:122126 |
[3-amino-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](cyclopropyl)methanone |
STK746754 |
AKOS001648478 |
[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone |
CCG-14807 |
HMS2308L04 |
CHEMBL1598441 |
[3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropyl-methanone |
[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]-cyclopropylmethanone |
cid_1039936 |
bdbm47567 |
[3-azanyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropyl-methanone |
Q27210767 |
sr-01000460980 |
SR-01000460980-1 |
Class | Description |
---|---|
thienopyridine | Any organic heterobicyclic compound whose skeleton results from the formal ortho-fusion of any bond of a pyridine with any bond of a thiophene. |
[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, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 8.9125 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Nrf2 | Homo sapiens (human) | Potency | 2.1609 | 0.0920 | 8.2222 | 23.1093 | AID624171; AID651593 |
USP1 protein, partial | Homo sapiens (human) | Potency | 7.0795 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 4.4668 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
Smad3 | Homo sapiens (human) | Potency | 2.8184 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 25.1189 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
PINK1 | Homo sapiens (human) | Potency | 17.7828 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
Parkin | Homo sapiens (human) | Potency | 17.7828 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 39.8107 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 11.2202 | 0.0018 | 15.6638 | 39.8107 | AID894 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 25.1189 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 3.7646 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 6.7016 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
snurportin-1 | Homo sapiens (human) | Potency | 3.7646 | 5.8048 | 36.1306 | 65.1308 | AID540253; AID540263 |
histone-lysine N-methyltransferase 2A isoform 2 precursor | Homo sapiens (human) | Potency | 22.3872 | 0.0103 | 23.8567 | 63.0957 | AID2662 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 5.3582 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
tumor susceptibility gene 101 protein | Homo sapiens (human) | Potency | 56.2341 | 0.1298 | 10.8331 | 32.6090 | AID493005 |
GTP-binding nuclear protein Ran isoform 1 | Homo sapiens (human) | Potency | 3.9811 | 5.8048 | 16.9962 | 25.9290 | AID540253 |
DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | Potency | 1.3860 | 0.0580 | 10.6949 | 26.6086 | AID651812; AID651813 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 1.1417 | 0.0259 | 11.2398 | 31.6228 | AID602313; AID651814; AID651815 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 4.4668 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 95.8174 | 3.9811 | 46.7448 | 112.2020 | AID720708; AID720711 |
[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) |
---|---|---|---|---|---|---|---|
glutathione S-transferase, partial | Homo sapiens (human) | EC50 (µMol) | 19.3400 | 1.5120 | 15.6244 | 46.8700 | AID1769 |
endoribonuclease toxin MazF | Escherichia coli str. K-12 substr. MG1655 | EC50 (µMol) | 54.8000 | 3.9600 | 9.5157 | 17.4000 | AID588481; AID588502 |
[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 |
---|---|---|
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
guanyl-nucleotide exchange factor activity | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
protein binding | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
cAMP binding | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
protein-macromolecule adaptor activity | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
small GTPase binding | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
cytosol | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
plasma membrane | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
membrane | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
hippocampal mossy fiber to CA3 synapse | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
plasma membrane | Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID1745845 | 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. |
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 | |||
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. |
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 (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] |