You're describing a molecule with a very specific structure and likely a very specific purpose in research. While I can't give you a detailed breakdown of its exact importance without more context, I can help you understand its structure and why it might be relevant.
Here's what we can break down from the name:
**1. The Structure:**
* **Urea:** The base of the molecule is urea, a common organic compound. It has a simple structure with a carbonyl group (C=O) bonded to two nitrogen atoms.
* **1-(1-adamantyl):** An adamantyl group is a cage-like structure. It's attached at the 1-position of the urea.
* **3-[...]:** This indicates that a complex structure is attached to the 3-position of the urea.
* **8-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl:** This is the complex structure attached to the urea. Here's a breakdown:
* **8-azabicyclo[3.2.1]octan-3-yl:** This is a bicyclic structure with nitrogen at the 8-position. The 3-yl indicates that it's attached to the urea through the 3rd carbon in the ring system.
* **8-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]:** This is a substituent attached to the bicyclic system. It contains:
* **Tetrazole:** A heterocyclic ring containing four nitrogen atoms.
* **Furanylmethyl:** A furan ring (a 5-membered ring with one oxygen atom) with a methyl group attached.
**2. Importance in Research:**
* **Pharmacology:** This molecule likely has a pharmaceutical purpose. The combination of a urea group, bicyclic structures, and heterocycles like tetrazoles and furans are commonly found in molecules with biological activity.
* **Drug Discovery:** The complexity of this molecule suggests it might be a potential drug candidate.
* **Targeting Specific Receptors:** The specific structure, especially the 8-azabicyclo[3.2.1]octan-3-yl and the tetrazole, might be designed to interact with specific receptors or enzymes in the body.
**How to Find More Information:**
* **Chemical Databases:** Search for the molecule in chemical databases like PubChem or SciFinder. These databases might have information about its potential properties or research activity.
* **Scientific Literature:** Use the molecule name or specific parts of the structure to search for research articles or patents that might mention it.
Remember, without additional information, I can only give you a general interpretation. The exact importance of this molecule would be best understood by researchers who are working with it or have published studies on it.
ID Source | ID |
---|---|
PubMed CID | 646028 |
CHEMBL ID | 1364757 |
CHEBI ID | 107568 |
Synonym |
---|
HMS1688D03 |
1-adamantan-1-yl-3-[8-(1-furan-2-ylmethyl-1h-tetrazol-5-ylmethyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-urea |
ASN 06448725 |
smr000006690 |
MLS000075625 , |
MLS001385474 |
CHEBI:107568 |
1-(1-adamantyl)-3-[8-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]urea |
AKOS000756617 |
HMS2378P23 |
CHEMBL1364757 |
bdbm39576 |
1-(1-adamantyl)-3-[8-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]urea |
1-(1-adamantyl)-3-[8-[[1-(2-furfuryl)tetrazol-5-yl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]urea |
1-(1-adamantyl)-3-[8-[[1-(2-furanylmethyl)-5-tetrazolyl]methyl]-8-azabicyclo[3.2.1]octan-3-yl]urea |
cid_646028 |
Q27185893 |
AKOS030480847 |
Class | Description |
---|---|
tropane alkaloid | |
[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 | 0.6310 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
glp-1 receptor, partial | Homo sapiens (human) | Potency | 10.0000 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ATAD5 protein, partial | Homo sapiens (human) | Potency | 18.3564 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
TDP1 protein | Homo sapiens (human) | Potency | 19.4763 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 44.6684 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 7.9433 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
alpha-galactosidase | Homo sapiens (human) | Potency | 44.6684 | 4.4668 | 18.3916 | 35.4813 | AID1467 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 4.1095 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 50.1187 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
ubiquitin carboxyl-terminal hydrolase 2 isoform a | Homo sapiens (human) | Potency | 12.5893 | 0.6561 | 9.4520 | 25.1189 | AID927 |
survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 0.0224 | 0.1259 | 12.2344 | 35.4813 | AID1458 |
neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 10.0000 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
Disintegrin and metalloproteinase domain-containing protein 17 | Homo sapiens (human) | Potency | 12.5893 | 1.5849 | 13.0043 | 25.1189 | AID927 |
[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) |
---|---|---|---|---|---|---|---|
alkaline phosphatase, germ cell type preproprotein | Homo sapiens (human) | IC50 (µMol) | 999.0000 | 0.1100 | 11.3862 | 67.2000 | AID690 |
[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) |
---|---|---|---|---|---|---|---|
alkaline phosphatase, germ cell type preproprotein | Homo sapiens (human) | EC50 (µMol) | 999.0000 | 0.5500 | 33.7339 | 74.0000 | AID696 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
[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] |
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 (12.20) 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 | 7 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |