Page last updated: 2024-12-09

1-(3-acetylphenyl)-3-(2-pyridinylmethyl)urea

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

1-(3-acetylphenyl)-3-(2-pyridinylmethyl)urea is a chemical compound that has been studied for its potential biological activity, specifically as a **histone deacetylase (HDAC) inhibitor**.

Here's a breakdown of its structure and significance:

**Structure:**

* **1-(3-acetylphenyl):** This part of the molecule refers to a phenyl ring (benzene ring) with an acetyl group (CH3CO-) attached at the 3rd position.
* **3-(2-pyridinylmethyl):** This indicates a 2-pyridinylmethyl group attached to the 3rd position of the urea molecule.
* **Urea:** This is the central core of the compound, a simple organic molecule with the formula (NH2)2CO.

**Significance in Research:**

HDAC inhibitors are a class of drugs that can potentially treat cancer and other diseases. They work by inhibiting the activity of histone deacetylases, enzymes that remove acetyl groups from histone proteins.

* **Histone acetylation:** This process is crucial for regulating gene expression, and by altering it, HDAC inhibitors can influence cellular processes like cell growth, differentiation, and apoptosis (programmed cell death).

**Why 1-(3-acetylphenyl)-3-(2-pyridinylmethyl)urea is Important:**

* **Potential Anti-cancer Activity:** The compound has shown promising results in preclinical studies, demonstrating its potential as a new anti-cancer agent.
* **Target Specificity:** Researchers are interested in its selectivity for specific HDAC isoforms. HDAC inhibitors with target specificity could potentially minimize unwanted side effects.
* **New Drug Development:** It acts as a lead compound for the development of more potent and selective HDAC inhibitors.

**Important Note:** While this compound has shown potential in research, it is still in the early stages of development. More research is needed to determine its safety and efficacy in humans.

Cross-References

ID SourceID
PubMed CID972071
CHEMBL ID1335952
CHEBI ID114886

Synonyms (13)

Synonym
n-(3-acetylphenyl)-n'-(2-pyridinylmethyl)urea
MLS000050133 ,
smr000077222
CHEBI:114886
1-(3-acetylphenyl)-3-(pyridin-2-ylmethyl)urea
AKOS003353708
HMS2446B03
CHEMBL1335952
STL504146
Q27196729
1-(3-acetylphenyl)-3-(2-pyridinylmethyl)urea
sr-01000279537
SR-01000279537-1
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic ketoneA ketone in which the carbonyl group is attached to an aromatic 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 Targets (14)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
LuciferasePhotinus pyralis (common eastern firefly)Potency9.52830.007215.758889.3584AID588342
BRCA1Homo sapiens (human)Potency2.23870.89137.722525.1189AID624202
ATAD5 protein, partialHomo sapiens (human)Potency10.21010.004110.890331.5287AID504466; AID504467
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency9.46620.707912.194339.8107AID720542
PINK1Homo sapiens (human)Potency11.22022.818418.895944.6684AID624263
thyroid stimulating hormone receptorHomo sapiens (human)Potency31.62280.001318.074339.8107AID926
ParkinHomo sapiens (human)Potency11.22020.819914.830644.6684AID624263
P53Homo sapiens (human)Potency12.58930.07319.685831.6228AID504706
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency3.54810.01262.451825.0177AID485313
chromobox protein homolog 1Homo sapiens (human)Potency100.00000.006026.168889.1251AID540317
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency2.81843.548119.542744.6684AID743266
ras-related protein Rab-9AHomo sapiens (human)Potency3.16230.00022.621531.4954AID485297
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency19.14990.00798.23321,122.0200AID2546; AID2551
survival motor neuron protein isoform dHomo sapiens (human)Potency15.84890.125912.234435.4813AID1458
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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 Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

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%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]