Compounds > 2-[(3-methoxyphenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenenitrile
Page last updated: 2024-11-09

2-[(3-methoxyphenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenenitrile

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

Cross-References

ID SourceID
PubMed CID2819095
CHEMBL ID1384974
CHEBI ID94961

Synonyms (21)

Synonym
IDI1_014810
2-(3-methoxybenzoyl)-3,3-di(methylthio)acrylonitrile
MLS000859112 ,
smr000459291
MAYBRIDGE3_003423
OPREA1_801962
BRD-K87375115-001-06-6
HMS1440L13
2-(3-methoxybenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
HMS2784K13
REGID_FOR_CID_2819095
2-m-anisoyl-3,3-bis(methylthio)acrylonitrile
cid_2819095
2-(3-methoxyphenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enenitrile
2-[(3-methoxyphenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenenitrile
bdbm66653
bio4d8
CHEMBL1384974
CCG-250509
CHEBI:94961
Q27166726
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
carbonyl compoundAny compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives.
[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 (37)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
LuciferasePhotinus pyralis (common eastern firefly)Potency23.93410.007215.758889.3584AID588342
thioredoxin reductaseRattus norvegicus (Norway rat)Potency19.95260.100020.879379.4328AID588453
BRCA1Homo sapiens (human)Potency11.22020.89137.722525.1189AID624202
phosphopantetheinyl transferaseBacillus subtilisPotency3.98110.141337.9142100.0000AID1490
TDP1 proteinHomo sapiens (human)Potency2.45190.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency19.62210.180013.557439.8107AID1460; AID1468
thioredoxin glutathione reductaseSchistosoma mansoniPotency12.58930.100022.9075100.0000AID485364
Smad3Homo sapiens (human)Potency10.00000.00527.809829.0929AID588855
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency7.07950.011212.4002100.0000AID1030
regulator of G-protein signaling 4Homo sapiens (human)Potency17.78280.531815.435837.6858AID504845
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency11.22020.28189.721235.4813AID2326
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency39.81070.035520.977089.1251AID504332
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency3.16230.01262.451825.0177AID485313
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency19.38060.354828.065989.1251AID504847; AID602199; AID602200; AID602202
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency7.30780.00419.984825.9290AID504444
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency35.48133.548119.542744.6684AID743266
pyruvate kinase PKM isoform aHomo sapiens (human)Potency35.48130.04017.459031.6228AID1631; AID1634
mitogen-activated protein kinase 1Homo sapiens (human)Potency35.48130.039816.784239.8107AID1454
flap endonuclease 1Homo sapiens (human)Potency89.12510.133725.412989.1251AID588795
ras-related protein Rab-9AHomo sapiens (human)Potency3.98110.00022.621531.4954AID485297
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency15.00300.168316.404067.0158AID720504
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency8.91250.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency8.91250.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency8.91250.15855.287912.5893AID540303
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency35.48130.00798.23321,122.0200AID2546
gemininHomo sapiens (human)Potency26.10110.004611.374133.4983AID624296; AID624297
DNA dC->dU-editing enzyme APOBEC-3G isoform 1Homo sapiens (human)Potency10.00000.058010.694926.6086AID602310
neuropeptide S receptor isoform AHomo sapiens (human)Potency5.01190.015812.3113615.5000AID1461
[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)
XBP1Homo sapiens (human)IC50 (µMol)10.00000.16005.404910.0000AID504313
melanocortin receptor 4Homo sapiens (human)IC50 (µMol)64.56401.54704.31427.1770AID602298
DNA damage-inducible transcript 3 proteinMus musculus (house mouse)IC50 (µMol)10.00000.16003.995910.0000AID504322
high affinity choline transporter 1 isoform aHomo sapiens (human)IC50 (µMol)11.24700.00036.210228.8403AID504840
[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)350.00008.0570121.1218338.0000AID2765
glycogen synthase kinase-3 beta isoform 1Homo sapiens (human)EC50 (µMol)300.00000.212522.156283.9400AID434954
bcl-2-like protein 11 isoform 1Homo sapiens (human)EC50 (µMol)350.00008.0570121.1218338.0000AID2765
[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)AC50262.73000.920095.9176498.8000AID449754; AID449755; AID449757; AID488914
Bcl-2-like protein 11Homo sapiens (human)AC50350.00009.841085.8882287.1000AID449757
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (37)

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)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (3)

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)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (5)

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)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (12)

Assay IDTitleYearJournalArticle
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
[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]
ConditionIndicatedRelationship StrengthStudiesTrials
Innate Inflammatory Response
[description not available]		02.0510
Inflammation
A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.		02.0510