Compounds > 2-[[5-(dimethylsulfamoyl)-1H-indol-3-yl]methylidene]propanedioic acid diethyl ester
Page last updated: 2024-11-10

2-[[5-(dimethylsulfamoyl)-1H-indol-3-yl]methylidene]propanedioic acid diethyl ester

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 CID3127906
CHEMBL ID466179
CHEBI ID114991

Synonyms (16)

Synonym
MLS000703724 ,
smr000274089
CHEBI:114991
CHEMBL466179
diethyl 2-[[5-(dimethylsulfamoyl)-1h-indol-3-yl]methylidene]propanedioate
AKOS024347934
HMS2753H20
REGID_FOR_CID_3127906
2-[[5-(dimethylsulfamoyl)-1h-indol-3-yl]methylidene]propanedioic acid diethyl ester
bdbm72412
cid_3127906
2-[[5-(dimethylsulfamoyl)-1h-indol-3-yl]methylene]malonic acid diethyl ester
sr-01000359711
SR-01000359711-1
Q27196835
diethyl 2-({5-[(dimethylamino)sulfonyl]-1h-indol-3-yl}methylene)malonate
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

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 (16)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
LuciferasePhotinus pyralis (common eastern firefly)Potency37.93300.007215.758889.3584AID588342
Nrf2Homo sapiens (human)Potency28.18380.09208.222223.1093AID624171
glp-1 receptor, partialHomo sapiens (human)Potency12.58930.01846.806014.1254AID624417
BRCA1Homo sapiens (human)Potency17.78280.89137.722525.1189AID624202
TDP1 proteinHomo sapiens (human)Potency22.72650.000811.382244.6684AID686978; AID686979
thioredoxin glutathione reductaseSchistosoma mansoniPotency35.48130.100022.9075100.0000AID485364
Smad3Homo sapiens (human)Potency19.95260.00527.809829.0929AID588855
P53Homo sapiens (human)Potency12.58930.07319.685831.6228AID504706
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency70.79460.354828.065989.1251AID504847
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency16.36010.00419.984825.9290AID504444
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency22.38720.00798.23321,122.0200AID2551
gemininHomo sapiens (human)Potency29.09290.004611.374133.4983AID624296
DNA dC->dU-editing enzyme APOBEC-3G isoform 1Homo sapiens (human)Potency25.11890.058010.694926.6086AID602310
[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)
high affinity choline transporter 1 isoform aHomo sapiens (human)IC50 (µMol)15.84890.00036.210228.8403AID504840
DNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)IC50 (µMol)100.00000.05502.967710.0000AID412498
[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)
Hsf1 proteinMus musculus (house mouse)EC50 (µMol)45.32000.160024.4900236.5000AID435004
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (13)

Processvia Protein(s)Taxonomy
telomere maintenanceDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
DNA repairDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
base-excision repairDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
base-excision repair, gap-fillingDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
DNA catabolic processDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
DNA recombinationDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
regulation of apoptotic processDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
regulation of mRNA stabilityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
positive regulation of gene expression via chromosomal CpG island demethylationDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
cell redox homeostasisDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
negative regulation of DNA-templated transcriptionDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
telomere maintenance via base-excision repairDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (25)

Processvia Protein(s)Taxonomy
DNA bindingDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
damaged DNA bindingDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
double-stranded telomeric DNA bindingDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
transcription coactivator activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
transcription corepressor activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
RNA bindingDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
DNA-(apurinic or apyrimidinic site) endonuclease activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
endonuclease activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
DNA endonuclease activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
RNA-DNA hybrid ribonuclease activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
phosphodiesterase I activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
uracil DNA N-glycosylase activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
protein bindingDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
phosphoric diester hydrolase activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
3'-5'-DNA exonuclease activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
double-stranded DNA exodeoxyribonuclease activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
3'-5' exonuclease activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
oxidoreductase activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
site-specific endodeoxyribonuclease activity, specific for altered baseDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
chromatin DNA bindingDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
metal ion bindingDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
class II DNA-(apurinic or apyrimidinic site) endonuclease activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
phosphodiesterase activity, acting on 3'-phosphoglycolate-terminated DNA strandsDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
DNA-(abasic site) bindingDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
double-stranded DNA 3'-5' DNA exonuclease activityDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (11)

Processvia Protein(s)Taxonomy
chromosome, telomeric regionDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
nucleusDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
nucleoplasmDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
nucleolusDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
cytoplasmDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
mitochondrionDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
endoplasmic reticulumDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
centrosomeDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
ribosomeDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
nuclear speckDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
perinuclear region of cytoplasmDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
nucleusDNA-(apurinic or apyrimidinic site) endonucleaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (14)

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.
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.
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
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.
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.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID412498Inhibition of purified human recombinant APE1 expressed in Escherichia coli M15 cells2009Journal of medicinal chemistry, Jan-08, Volume: 52, Issue:1
Pharmacophore guided discovery of small-molecule human apurinic/apyrimidinic endonuclease 1 inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's2 (33.33)29.6817
2010's3 (50.00)24.3611
2020's1 (16.67)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.41

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 Index12.41 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.41)

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%
Other6 (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