Compounds > 3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester
Page last updated: 2024-11-09

3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl 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 CID2778748
CHEMBL ID335334
CHEBI ID93396
SCHEMBL ID1857463

Synonyms (32)

Synonym
OPREA1_127072
bdbm50048448
3-methylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid ethyl ester
ethyl 3-methylsulfanyl-4-oxo-6,7-dihydro-5h-2-benzothiophene-1-carboxylate
MLS000859256
ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate
smr000459435
MAYBRIDGE1_004428
MLS001060786
CHEMBL335334 ,
HMS554B06
168279-54-7
A810957
HMS2203P07
benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-, ethyl ester
FT-0625995
ethyl 3-(methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
PS-4388
AKOS015908754
HMS3328D18
BHVLZDJJLSBOHJ-UHFFFAOYSA-N ,
ethyl 4,5,6,7-tetrahydro-3-methylthio-4-oxobenzo[c]thiophene-1-carboxylate
SCHEMBL1857463
c12h14o3s2
benzo[c]thiophene-1-carboxylic acid,4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-,ethyl ester
mfcd00085083
CCG-240492
CHEBI:93396
3-(methylthio)-4-oxo-6,7-dihydro-5h-2-benzothiophene-1-carboxylic acid ethyl ester
Q27165098
CS-0061572
W18001
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
thiophenecarboxylic acid
[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 (9)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
glp-1 receptor, partialHomo sapiens (human)Potency0.31620.01846.806014.1254AID624417
chaperonin-containing TCP-1 beta subunit homologHomo sapiens (human)Potency70.79463.981127.764939.8107AID504842
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency3.54810.707912.194339.8107AID720542
gemininHomo sapiens (human)Potency2.30770.004611.374133.4983AID624296; AID624297
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency39.81070.00419.962528.1838AID2675
neuropeptide S receptor isoform AHomo sapiens (human)Potency12.58930.015812.3113615.5000AID1461
Guanine nucleotide-binding protein GHomo sapiens (human)Potency11.22021.995325.532750.1187AID624287
[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)
Adenosine receptor A3Rattus norvegicus (Norway rat)Ki15.20000.00030.91969.0000AID33358
Adenosine receptor A2aRattus norvegicus (Norway rat)Ki3.66000.00021.494010.0000AID33931
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Processvia Protein(s)Taxonomy
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 (3)

Processvia Protein(s)Taxonomy
G protein-coupled adenosine receptor activityAdenosine receptor A2aRattus norvegicus (Norway rat)
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 (2)

Processvia Protein(s)Taxonomy
Golgi membraneAdenosine receptor A2aRattus norvegicus (Norway rat)
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (18)

Assay IDTitleYearJournalArticle
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
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.
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.
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.
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.
AID33358Displacement of [125I]AB-MECA from rat Adenosine A3 receptor expressed in CHO cell membrane1996Journal of medicinal chemistry, Jan-19, Volume: 39, Issue:2
Tetrahydrobenzothiophenone derivatives as a novel class of adenosine receptor antagonists.
AID33931Displacement [3H]-CGS-21,680 from Adenosine A2A receptor in rat striatal membrane.1996Journal of medicinal chemistry, Jan-19, Volume: 39, Issue:2
Tetrahydrobenzothiophenone derivatives as a novel class of adenosine receptor antagonists.
AID234968Selectivity for human adenosine A3 and rat adenosine A3 receptors1996Journal of medicinal chemistry, Jan-19, Volume: 39, Issue:2
Tetrahydrobenzothiophenone derivatives as a novel class of adenosine receptor antagonists.
AID234967Selectivity for adenosine A2a and A1 receptors1996Journal of medicinal chemistry, Jan-19, Volume: 39, Issue:2
Tetrahydrobenzothiophenone derivatives as a novel class of adenosine receptor antagonists.
AID32348Tested for the displacement [3H]PIA from Adenosine A1 receptor in rat brain membrane1996Journal of medicinal chemistry, Jan-19, Volume: 39, Issue:2
Tetrahydrobenzothiophenone derivatives as a novel class of adenosine receptor antagonists.
[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's1 (16.67)18.2507
2000's1 (16.67)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: 12.87

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 Index12.87 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.82 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.87)

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]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
cgs 15943
9-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine: non-xanthine triazoloquinazoline adenosine antagonist. CGS 15943 : A member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosine A2A receptors.		1.9910aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline		adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant
cp 66713
CP 66713: adenosine receptor antagonist; structure given in first source		1.9910
zm 241385
ZM 241385: a high affinity radioligand selective for the A2a adenosine receptor		1.9910diamino-1,3,5-triazine
sch 58261
[no description available]		1.9910triazolopyrimidines
6,6-dimethyl-4-oxo-3-(phenylmethylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester
[no description available]		1.9910thiophenecarboxylic acid
4-hydroxy-3-(methylthio)-4,5,6,7-tetrahydro-2-benzothiophene-1-carbohydrazide
[no description available]		1.9910aromatic amide;
thiophenes
genistein
[no description available]		1.99107-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
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