Page last updated: 2024-12-09

1-[1-[oxo(1-pyrrolidinyl)methyl]cyclohexyl]-3-(phenylmethyl)urea

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

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.**

Cross-References

ID SourceID
PubMed CID647179
CHEMBL ID1464351
CHEBI ID111346

Synonyms (16)

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
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
N-acyl-amino acidA 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 Targets (20)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency0.00040.003245.467312,589.2998AID2517
Chain A, Beta-lactamaseEscherichia coli K-12Potency6.30960.044717.8581100.0000AID485294
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency3.54810.140911.194039.8107AID2451
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
5-hydroxytryptamine receptor 1AHomo sapiens (human)EC50 (µMol)50.00000.07001.46505.1000AID718
Gamma-aminobutyric acid receptor subunit piRattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
Gamma-aminobutyric acid receptor subunit beta-1Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
Gamma-aminobutyric acid receptor subunit deltaRattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
Gamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.73677.0000AID718
Gamma-aminobutyric acid receptor subunit alpha-5Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
Gamma-aminobutyric acid receptor subunit alpha-3Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
Gamma-aminobutyric acid receptor subunit gamma-1Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
Gamma-aminobutyric acid receptor subunit alpha-2Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.00011.46937.0000AID718
Gamma-aminobutyric acid receptor subunit alpha-4Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
Gamma-aminobutyric acid receptor subunit gamma-3Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
Gamma-aminobutyric acid receptor subunit alpha-6Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
Gamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.01902.149910.0000AID718
Gamma-aminobutyric acid receptor subunit beta-3Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
Gamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.73677.0000AID718
GABA theta subunitRattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
Gamma-aminobutyric acid receptor subunit epsilonRattus norvegicus (Norway rat)EC50 (µMol)50.00000.01901.70547.0000AID718
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
plasma membraneGamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)
plasma membraneGamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)
plasma membraneGamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (15)

Assay IDTitleYearJournalArticle
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. 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.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. 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.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. 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.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & 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.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral 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]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's5 (71.43)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.20

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.

MetricThis Compound (vs All)
Research Demand Index12.20 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.28 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.20)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]