Page last updated: 2024-11-10

2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone

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 CID3918052
CHEMBL ID1352348
CHEBI ID112418

Synonyms (16)

Synonym
smr000152774
MLS000565697 ,
CHEBI:112418
HMS2466E14
2-(1h-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone
REGID_FOR_CID_3918052
sr-01000048857
SR-01000048857-1
CHEMBL1352348
cid_3918052
2-(1h-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone
2-(1h-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]ethanone
bdbm42046
Q27192522
Z54886869
AKOS034443408
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzimidazolesAn organic heterocyclic compound containing a benzene ring fused to an imidazole 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 (25)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Ferritin light chainEquus caballus (horse)Potency25.11895.623417.292931.6228AID485281
LuciferasePhotinus pyralis (common eastern firefly)Potency0.53580.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency3.98110.01846.806014.1254AID624417
ATAD5 protein, partialHomo sapiens (human)Potency0.51740.004110.890331.5287AID504467
TDP1 proteinHomo sapiens (human)Potency6.24060.000811.382244.6684AID686978; AID686979
TSHR proteinHomo sapiens (human)Potency21.33130.338119.046637.9330AID602292
Smad3Homo sapiens (human)Potency6.30960.00527.809829.0929AID588855
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency35.48130.011212.4002100.0000AID1030
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency56.23410.035520.977089.1251AID504332
heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa)Homo sapiens (human)Potency5.01190.016525.307841.3999AID602332
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency0.10000.01262.451825.0177AID485313
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency15.84890.001815.663839.8107AID894
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency14.58100.00419.984825.9290AID504444
huntingtin isoform 2Homo sapiens (human)Potency10.00000.000618.41981,122.0200AID1688
ras-related protein Rab-9AHomo sapiens (human)Potency0.08910.00022.621531.4954AID485297
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency19.70200.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency29.09290.004611.374133.4983AID624296
survival motor neuron protein isoform dHomo sapiens (human)Potency0.31620.125912.234435.4813AID1458
Guanine nucleotide-binding protein GHomo sapiens (human)Potency31.62281.995325.532750.1187AID624288
[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)
photoreceptor-specific nuclear receptorHomo sapiens (human)IC50 (µMol)11.72500.03742.93408.9620AID624394
neuropeptide Y receptor type 1Homo sapiens (human)IC50 (µMol)35.00001.93806.50679.0040AID1277
neuropeptide Y receptor type 2Homo sapiens (human)IC50 (µMol)35.00000.22004.49478.1510AID1278
transactivating tegument protein VP16 [Human herpesvirus 1]Human alphaherpesvirus 1 (Herpes simplex virus type 1)IC50 (µMol)7.31800.94604.70169.4870AID624395
[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)
matrix metalloproteinase 1, partialHomo sapiens (human)EC50 (µMol)3.86001.060010.759427.6000AID618
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (20)

Processvia Protein(s)Taxonomy
muscle contractionGalanin receptor type 2Homo sapiens (human)
cell surface receptor signaling pathwayGalanin receptor type 2Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathwayGalanin receptor type 2Homo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathwayGalanin receptor type 2Homo sapiens (human)
positive regulation of cytosolic calcium ion concentrationGalanin receptor type 2Homo sapiens (human)
learning or memoryGalanin receptor type 2Homo sapiens (human)
feeding behaviorGalanin receptor type 2Homo sapiens (human)
neuron projection developmentGalanin receptor type 2Homo sapiens (human)
inositol phosphate metabolic processGalanin receptor type 2Homo sapiens (human)
positive regulation of transcription by RNA polymerase IIGalanin receptor type 2Homo sapiens (human)
phosphatidylinositol metabolic processGalanin receptor type 2Homo sapiens (human)
galanin-activated signaling pathwayGalanin receptor type 2Homo sapiens (human)
positive regulation of large conductance calcium-activated potassium channel activityGalanin receptor type 2Homo sapiens (human)
adenylate cyclase-modulating G protein-coupled receptor signaling pathwayGalanin receptor type 2Homo sapiens (human)
neuropeptide signaling pathwayGalanin receptor type 2Homo sapiens (human)
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (6)

Processvia Protein(s)Taxonomy
galanin receptor activityGalanin receptor type 2Homo sapiens (human)
protein bindingGalanin receptor type 2Homo sapiens (human)
peptide hormone bindingGalanin receptor type 2Homo sapiens (human)
neuropeptide bindingGalanin receptor type 2Homo sapiens (human)
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (3)

Processvia Protein(s)Taxonomy
plasma membraneGalanin receptor type 2Homo sapiens (human)
ciliumGalanin receptor type 2Homo sapiens (human)
membraneGalanin receptor type 2Homo sapiens (human)
plasma membraneGalanin receptor type 2Homo sapiens (human)
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (15)

Assay IDTitleYearJournalArticle
AID1640018Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a culture of HepG2 cells that were pre-incubated with compounds. Infected hepatocytes emit light due to the luciferase reaction. Assay results are presented as the percent 2018Science (New York, N.Y.), 12-07, Volume: 362, Issue:6419
Open-source discovery of chemical leads for next-generation chemoprotective antimalarials.
AID1640019Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a culture of HepG2 cells that were pre-incubated with compounds. Infected hepatocytes emit light due to the luciferase reaction. Assay results are presented as the percent 2018Science (New York, N.Y.), 12-07, Volume: 362, Issue:6419
Open-source discovery of chemical leads for next-generation chemoprotective antimalarials.
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.
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
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
[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's1 (16.67)29.6817
2010's4 (66.67)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: 12.35

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 Index12.35 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.30 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.35)

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]