You're asking about a compound with a very specific chemical name: **1-[1-[oxo(1-pyrrolidinyl)methyl]cyclohexyl]-3-(phenylmethyl)urea**. This is a complex molecule with a unique structure that is likely a synthetic compound, not a naturally occurring one.
**Here's a breakdown of the structure and why it might be important in research:**
* **Structure:**
* **Urea Core:** The molecule contains a urea group (NH2-CO-NH2), which is a common functional group found in many biologically active compounds.
* **Cyclohexyl Ring:** A six-membered ring (cyclohexane) is attached to one of the nitrogen atoms in the urea. This ring is saturated, meaning it has only single bonds, which can affect its reactivity and how it interacts with other molecules.
* **Pyrrolidinyl Group:** Another ring structure, a five-membered ring called pyrrolidine, is attached to the cyclohexane ring. This ring contains a nitrogen atom and is often involved in interactions with other molecules.
* **Phenylmethyl Group:** This is a benzene ring (phenyl) attached to a CH2 group. This is a common group in organic chemistry, particularly in drug development, as it can contribute to hydrophobic interactions.
* **Oxo Group:** This group (C=O) is attached to the nitrogen atom in the pyrrolidine ring. This carbonyl group can be involved in hydrogen bonding and other interactions with other molecules.
**Importance in Research:**
Based on its structure, this molecule has the potential to be important in several areas of research:
* **Pharmacology and Drug Development:** The presence of the urea group, the cyclohexyl ring, and the phenylmethyl group suggests that this compound could potentially act as a drug molecule. These structural features are often associated with molecules that can interact with biological targets, such as enzymes or receptors, and exert pharmacological effects.
* **Materials Science:** This molecule could potentially be used as a building block for new polymers or other materials. The combination of a rigid cyclohexane ring and flexible pyrrolidinyl group could lead to unique properties for the material.
* **Analytical Chemistry:** The compound's unique structure might be useful in analytical chemistry as a reagent or standard for analytical methods.
* **Biochemistry:** It could be a potential ligand for binding studies or as a tool to probe the properties of proteins or other biomolecules.
**However, without specific information on the molecule's synthesis, properties, or intended use, it's impossible to say definitively why this particular compound would be important.**
**To get more specific information, you would need to consult the relevant scientific literature or contact researchers who have studied this compound.**
ID Source | ID |
---|---|
PubMed CID | 647179 |
CHEMBL ID | 1464351 |
CHEBI ID | 111346 |
Synonym |
---|
HMS1705M12 |
MLS000029966 , |
1-benzyl-3-[1-(pyrrolidine-1-carbonyl)-cyclohexyl]-urea |
smr000000429 |
CHEBI:111346 |
1-benzyl-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea |
AKOS000761542 |
HMS2345L19 |
CHEMBL1464351 |
1-[1-[oxo(1-pyrrolidinyl)methyl]cyclohexyl]-3-(phenylmethyl)urea |
1-(phenylmethyl)-3-(1-pyrrolidin-1-ylcarbonylcyclohexyl)urea |
cid_647179 |
bdbm31000 |
Q27190965 |
sr-01000331156 |
SR-01000331156-1 |
Class | Description |
---|---|
N-acyl-amino acid | A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid. |
[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 | 0.0004 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 6.3096 | 0.0447 | 17.8581 | 100.0000 | AID485294 |
Chain A, Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | 3.5481 | 0.1409 | 11.1940 | 39.8107 | AID2451 |
[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) |
---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 1A | Homo sapiens (human) | EC50 (µMol) | 50.0000 | 0.0700 | 1.4650 | 5.1000 | AID718 |
Gamma-aminobutyric acid receptor subunit pi | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit beta-1 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit delta | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit gamma-2 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7367 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit alpha-5 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit gamma-1 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0001 | 1.4693 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit gamma-3 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit alpha-6 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit alpha-1 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 2.1499 | 10.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit beta-3 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit beta-2 | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7367 | 7.0000 | AID718 |
GABA theta subunit | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
Gamma-aminobutyric acid receptor subunit epsilon | Rattus norvegicus (Norway rat) | EC50 (µMol) | 50.0000 | 0.0190 | 1.7054 | 7.0000 | AID718 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Gamma-aminobutyric acid receptor subunit gamma-2 | Rattus norvegicus (Norway rat) |
plasma membrane | Gamma-aminobutyric acid receptor subunit alpha-1 | Rattus norvegicus (Norway rat) |
plasma membrane | Gamma-aminobutyric acid receptor subunit beta-2 | Rattus norvegicus (Norway rat) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
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 | |||
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] |