Page last updated: 2024-12-10

1-(Chloroacetyl)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol

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

The compound you're asking about, **1-(Chloroacetyl)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol**, is a complex organic molecule with a specific structure:

* **1-(Chloroacetyl):** This part indicates a chloroacetyl group (CH2ClCO-) attached at the first position of the molecule.
* **3-(1H-indol-3-yl):** This indicates an indole ring (a fused benzene-pyrrole system) attached at the third position.
* **5-(4-methoxyphenyl):** This indicates a 4-methoxyphenyl group (a benzene ring with a methoxy group at the fourth position) attached at the fifth position.
* **4,5-dihydro-1H-pyrazol-4-ol:** This indicates a pyrazole ring (a five-membered ring containing nitrogen atoms) with a hydroxyl group (-OH) attached at the fourth position, and a hydrogen atom at the first position.

**Importance in Research:**

This compound is likely a **synthetic molecule** developed for research purposes. Due to its unique structure and potential for biological activity, it could be explored for various applications, such as:

* **Pharmacology:** The presence of the indole ring and other functional groups suggests it might interact with biological targets like receptors or enzymes, potentially having therapeutic effects.
* **Material Science:** The compound's structure could contribute to its physical properties like solubility, melting point, or fluorescence, making it suitable for material development.
* **Chemical Biology:** It can be used to probe and understand complex biological processes by studying its interactions with biological systems.

**However, it's important to note:**

* **The specific importance of this exact compound is unknown without further research.** It could be a lead compound in a drug discovery program, or a reagent used for other research purposes.
* **The exact biological activity or potential applications of this compound are not publicly known.** This information is likely proprietary to the researchers who synthesized it or are studying its properties.

**To determine the specific significance of this compound, you would need to find research articles or publications that mention it.** Databases like PubChem, SciFinder, and Google Scholar can be used to search for relevant information.

Cross-References

ID SourceID
PubMed CID3555173
CHEMBL ID1366838
CHEBI ID149806

Synonyms (13)

Synonym
1-(chloroacetyl)-3-(1h-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-4-ol
zinc03888009 ,
CHEBI:149806
EN300-10060
790263-76-2
2-chloro-1-[4-hydroxy-3-(1h-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-1-yl]ethan-1-one
HMS2902K20
CHEMBL1366838
AKOS030694871
Z56347140
2-chloro-1-[4-hydroxy-5-(1h-indol-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
2-chloro-1-(4-hydroxy-3-(1h-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-1-yl)ethan-1-one
CS-0293597
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
anticoronaviral agentAny antiviral agent which inhibits the activity of coronaviruses.
[role 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]

Drug Classes (1)

ClassDescription
indolesAny compound containing an indole skeleton.
[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 (29)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Nrf2Homo sapiens (human)Potency3.98110.09208.222223.1093AID624171
glp-1 receptor, partialHomo sapiens (human)Potency5.62340.01846.806014.1254AID624417
thioredoxin reductaseRattus norvegicus (Norway rat)Potency12.58930.100020.879379.4328AID588453
WRNHomo sapiens (human)Potency89.12510.168331.2583100.0000AID651768
ATAD5 protein, partialHomo sapiens (human)Potency8.19610.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency0.45350.000811.382244.6684AID686978; AID686979
thioredoxin glutathione reductaseSchistosoma mansoniPotency8.91250.100022.9075100.0000AID485364
Smad3Homo sapiens (human)Potency2.23870.00527.809829.0929AID588855
67.9K proteinVaccinia virusPotency19.11800.00018.4406100.0000AID720579; AID720580
IDH1Homo sapiens (human)Potency0.46110.005210.865235.4813AID686970
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency89.12510.035520.977089.1251AID504332
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency6.30960.01262.451825.0177AID485313
importin subunit beta-1 isoform 1Homo sapiens (human)Potency100.00005.804836.130665.1308AID540263
ras-related protein Rab-9AHomo sapiens (human)Potency5.62340.00022.621531.4954AID485297
snurportin-1Homo sapiens (human)Potency100.00005.804836.130665.1308AID540263
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency15.84890.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency11.29470.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency2.95520.004611.374133.4983AID624296; AID624297
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency39.81070.00419.962528.1838AID2675
DNA dC->dU-editing enzyme APOBEC-3G isoform 1Homo sapiens (human)Potency2.51190.058010.694926.6086AID602310
Rap guanine nucleotide exchange factor 3Homo sapiens (human)Potency50.11876.309660.2008112.2020AID720709
Glycoprotein hormones alpha chainHomo sapiens (human)Potency1.00004.46688.344810.0000AID624291
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
3C-like protease, partialInfectious bronchitis virusIC50 (µMol)3.58301.08505.60679.8110AID1890
[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)
Chain A, BCL-2-RELATED PROTEIN A1Homo sapiens (human)EC50 (µMol)68.27008.0570121.1218338.0000AID2765
recombinase AMycobacterium tuberculosis H37RvEC50 (µMol)1.42450.018023.2882287.6000AID434968; AID435010
bcl-2-like protein 11 isoform 1Homo sapiens (human)EC50 (µMol)68.27008.0570121.1218338.0000AID2765
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, BCL-2-RELATED PROTEIN A1Homo sapiens (human)AC5046.30030.920095.9176498.8000AID449754; AID449755; AID449757
PAX8Homo sapiens (human)AC500.65000.04885.435469.1700AID687027
replicative DNA helicaseMycobacterium tuberculosis H37RvAC501.88900.057030.7482325.3000AID449749; AID449750
Bcl-2-like protein 11Homo sapiens (human)AC5062.19009.841085.8882287.1000AID449757
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (71)

Processvia Protein(s)Taxonomy
intrinsic apoptotic signaling pathway in response to DNA damageBcl-2-like protein 11Homo sapiens (human)
in utero embryonic developmentBcl-2-like protein 11Homo sapiens (human)
B cell homeostasisBcl-2-like protein 11Homo sapiens (human)
kidney developmentBcl-2-like protein 11Homo sapiens (human)
myeloid cell homeostasisBcl-2-like protein 11Homo sapiens (human)
apoptotic processBcl-2-like protein 11Homo sapiens (human)
cell-matrix adhesionBcl-2-like protein 11Homo sapiens (human)
spermatogenesisBcl-2-like protein 11Homo sapiens (human)
male gonad developmentBcl-2-like protein 11Homo sapiens (human)
post-embryonic developmentBcl-2-like protein 11Homo sapiens (human)
mammary gland developmentBcl-2-like protein 11Homo sapiens (human)
positive regulation of protein-containing complex assemblyBcl-2-like protein 11Homo sapiens (human)
response to endoplasmic reticulum stressBcl-2-like protein 11Homo sapiens (human)
tube formationBcl-2-like protein 11Homo sapiens (human)
odontogenesis of dentin-containing toothBcl-2-like protein 11Homo sapiens (human)
regulation of apoptotic processBcl-2-like protein 11Homo sapiens (human)
T cell homeostasisBcl-2-like protein 11Homo sapiens (human)
positive regulation of apoptotic processBcl-2-like protein 11Homo sapiens (human)
positive regulation of neuron apoptotic processBcl-2-like protein 11Homo sapiens (human)
ear developmentBcl-2-like protein 11Homo sapiens (human)
positive regulation of cell cycleBcl-2-like protein 11Homo sapiens (human)
regulation of organ growthBcl-2-like protein 11Homo sapiens (human)
developmental pigmentationBcl-2-like protein 11Homo sapiens (human)
regulation of developmental pigmentationBcl-2-like protein 11Homo sapiens (human)
spleen developmentBcl-2-like protein 11Homo sapiens (human)
thymus developmentBcl-2-like protein 11Homo sapiens (human)
positive regulation of T cell apoptotic processBcl-2-like protein 11Homo sapiens (human)
thymocyte apoptotic processBcl-2-like protein 11Homo sapiens (human)
cellular response to glucocorticoid stimulusBcl-2-like protein 11Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondriaBcl-2-like protein 11Homo sapiens (human)
extrinsic apoptotic signaling pathway in absence of ligandBcl-2-like protein 11Homo sapiens (human)
positive regulation of mitochondrial membrane permeability involved in apoptotic processBcl-2-like protein 11Homo sapiens (human)
positive regulation of endoplasmic reticulum stress-induced intrinsic apoptotic signaling pathwayBcl-2-like protein 11Homo sapiens (human)
apoptotic process involved in embryonic digit morphogenesisBcl-2-like protein 11Homo sapiens (human)
positive regulation of IRE1-mediated unfolded protein responseBcl-2-like protein 11Homo sapiens (human)
positive regulation of fibroblast apoptotic processBcl-2-like protein 11Homo sapiens (human)
meiosis IBcl-2-like protein 11Homo sapiens (human)
angiogenesisRap guanine nucleotide exchange factor 3Homo sapiens (human)
adaptive immune responseRap guanine nucleotide exchange factor 3Homo sapiens (human)
signal transductionRap guanine nucleotide exchange factor 3Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathwayRap guanine nucleotide exchange factor 3Homo sapiens (human)
associative learningRap guanine nucleotide exchange factor 3Homo sapiens (human)
Rap protein signal transductionRap guanine nucleotide exchange factor 3Homo sapiens (human)
regulation of actin cytoskeleton organizationRap guanine nucleotide exchange factor 3Homo sapiens (human)
negative regulation of syncytium formation by plasma membrane fusionRap guanine nucleotide exchange factor 3Homo sapiens (human)
intracellular signal transductionRap guanine nucleotide exchange factor 3Homo sapiens (human)
positive regulation of GTPase activityRap guanine nucleotide exchange factor 3Homo sapiens (human)
regulation of angiogenesisRap guanine nucleotide exchange factor 3Homo sapiens (human)
positive regulation of angiogenesisRap guanine nucleotide exchange factor 3Homo sapiens (human)
positive regulation of protein export from nucleusRap guanine nucleotide exchange factor 3Homo sapiens (human)
positive regulation of stress fiber assemblyRap guanine nucleotide exchange factor 3Homo sapiens (human)
regulation of phosphatidylinositol 3-kinase/protein kinase B signal transductionRap guanine nucleotide exchange factor 3Homo sapiens (human)
positive regulation of syncytium formation by plasma membrane fusionRap guanine nucleotide exchange factor 3Homo sapiens (human)
establishment of endothelial barrierRap guanine nucleotide exchange factor 3Homo sapiens (human)
cellular response to cAMPRap guanine nucleotide exchange factor 3Homo sapiens (human)
Ras protein signal transductionRap guanine nucleotide exchange factor 3Homo sapiens (human)
regulation of insulin secretionRap guanine nucleotide exchange factor 3Homo sapiens (human)
G protein-coupled receptor signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of cell population proliferationGlycoprotein hormones alpha chainHomo sapiens (human)
hormone-mediated signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
regulation of signaling receptor activityGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of steroid biosynthetic processGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of cell migrationGlycoprotein hormones alpha chainHomo sapiens (human)
thyroid gland developmentGlycoprotein hormones alpha chainHomo sapiens (human)
luteinizing hormone secretionGlycoprotein hormones alpha chainHomo sapiens (human)
organ growthGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIGlycoprotein hormones alpha chainHomo sapiens (human)
negative regulation of organ growthGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone secretionGlycoprotein hormones alpha chainHomo sapiens (human)
thyroid hormone generationGlycoprotein hormones alpha chainHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (8)

Processvia Protein(s)Taxonomy
protein bindingBcl-2-like protein 11Homo sapiens (human)
microtubule bindingBcl-2-like protein 11Homo sapiens (human)
protein kinase bindingBcl-2-like protein 11Homo sapiens (human)
guanyl-nucleotide exchange factor activityRap guanine nucleotide exchange factor 3Homo sapiens (human)
protein bindingRap guanine nucleotide exchange factor 3Homo sapiens (human)
protein domain specific bindingRap guanine nucleotide exchange factor 3Homo sapiens (human)
cAMP bindingRap guanine nucleotide exchange factor 3Homo sapiens (human)
hormone activityGlycoprotein hormones alpha chainHomo sapiens (human)
protein bindingGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone activityGlycoprotein hormones alpha chainHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (17)

Processvia Protein(s)Taxonomy
mitochondrial outer membraneBcl-2-like protein 11Homo sapiens (human)
cytosolBcl-2-like protein 11Homo sapiens (human)
endomembrane systemBcl-2-like protein 11Homo sapiens (human)
Bcl-2 family protein complexBcl-2-like protein 11Homo sapiens (human)
mitochondrionBcl-2-like protein 11Homo sapiens (human)
plasma membraneRap guanine nucleotide exchange factor 3Homo sapiens (human)
cortical actin cytoskeletonRap guanine nucleotide exchange factor 3Homo sapiens (human)
plasma membraneRap guanine nucleotide exchange factor 3Homo sapiens (human)
microvillusRap guanine nucleotide exchange factor 3Homo sapiens (human)
endomembrane systemRap guanine nucleotide exchange factor 3Homo sapiens (human)
membraneRap guanine nucleotide exchange factor 3Homo sapiens (human)
lamellipodiumRap guanine nucleotide exchange factor 3Homo sapiens (human)
filopodiumRap guanine nucleotide exchange factor 3Homo sapiens (human)
extracellular exosomeRap guanine nucleotide exchange factor 3Homo sapiens (human)
extracellular regionGlycoprotein hormones alpha chainHomo sapiens (human)
extracellular spaceGlycoprotein hormones alpha chainHomo sapiens (human)
Golgi lumenGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone complexGlycoprotein hormones alpha chainHomo sapiens (human)
pituitary gonadotropin complexGlycoprotein hormones alpha chainHomo sapiens (human)
extracellular spaceGlycoprotein hormones alpha chainHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
AID1745845Primary 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]