Compounds > 2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester

Page last updated: 2024-12-09

2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl 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 Source	ID
PubMed CID	870240
CHEMBL ID	1402202
CHEBI ID	113119

Synonyms (16)

Synonym
CBMICRO_025201
OPREA1_425039
BIM-0025009.P001
smr000111165
MLS000106789
propan-2-yl 2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
STK421380
CHEBI:113119
AKOS003241322
propan-2-yl 2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CCG-12065
HMS2444N08
CHEMBL1402202
2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester
Q27193583
isopropyl 2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (4)

Class	Description
aromatic amide	An amide in which the amide linkage is bonded directly to an aromatic system.
thiophenes	Compounds containing at least one thiophene ring.
isopropyl ester	Any carboxylic ester resulting from the formal condensation of a carboxylic acid with the hydroxy group of propan-2-ol.
secondary carboxamide	A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1).
[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 (19)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, HADH2 protein	Homo sapiens (human)	Potency	31.6228	0.0251	20.2376	39.8107	AID893
Chain B, HADH2 protein	Homo sapiens (human)	Potency	31.6228	0.0251	20.2376	39.8107	AID893
Chain A, JmjC domain-containing histone demethylation protein 3A	Homo sapiens (human)	Potency	39.8107	0.6310	35.7641	100.0000	AID504339
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	50.1187	0.1000	20.8793	79.4328	AID588456
ClpP	Bacillus subtilis	Potency	31.6228	1.9953	22.6730	39.8107	AID651965
phosphopantetheinyl transferase	Bacillus subtilis	Potency	19.9526	0.1413	37.9142	100.0000	AID1490
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	28.1838	0.0112	12.4002	100.0000	AID1030
PINK1	Homo sapiens (human)	Potency	28.1838	2.8184	18.8959	44.6684	AID624263
Parkin	Homo sapiens (human)	Potency	28.1838	0.8199	14.8306	44.6684	AID624263
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	7.0795	0.0355	20.9770	89.1251	AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1	Homo sapiens (human)	Potency	31.6228	0.0018	15.6638	39.8107	AID894
chromobox protein homolog 1	Homo sapiens (human)	Potency	79.4328	0.0060	26.1688	89.1251	AID540317
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	100.0000	0.0100	39.5371	1,122.0200	AID1469
mitogen-activated protein kinase 1	Homo sapiens (human)	Potency	25.1189	0.0398	16.7842	39.8107	AID995
geminin	Homo sapiens (human)	Potency	16.3601	0.0046	11.3741	33.4983	AID624296
caspase-1 isoform alpha precursor	Homo sapiens (human)	Potency	25.1189	0.0003	11.4484	31.6228	AID900
lethal factor (plasmid)	Bacillus anthracis str. A2012	Potency	0.6310	0.0200	10.7869	31.6228	AID912
Caspase-7	Homo sapiens (human)	Potency	25.1189	3.9811	18.5856	31.6228	AID889
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
prostaglandin E2 receptor EP2 subtype	Homo sapiens (human)	Active Concentration	20.0000	20.0000	20.0000	20.0000	AID1421
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (17)

Process	via Protein(s)	Taxonomy
proteolysis	Caspase-7	Homo sapiens (human)
apoptotic process	Caspase-7	Homo sapiens (human)
heart development	Caspase-7	Homo sapiens (human)
response to UV	Caspase-7	Homo sapiens (human)
protein processing	Caspase-7	Homo sapiens (human)
protein catabolic process	Caspase-7	Homo sapiens (human)
defense response to bacterium	Caspase-7	Homo sapiens (human)
fibroblast apoptotic process	Caspase-7	Homo sapiens (human)
striated muscle cell differentiation	Caspase-7	Homo sapiens (human)
neuron apoptotic process	Caspase-7	Homo sapiens (human)
protein maturation	Caspase-7	Homo sapiens (human)
lymphocyte apoptotic process	Caspase-7	Homo sapiens (human)
cellular response to lipopolysaccharide	Caspase-7	Homo sapiens (human)
cellular response to staurosporine	Caspase-7	Homo sapiens (human)
execution phase of apoptosis	Caspase-7	Homo sapiens (human)
positive regulation of plasma membrane repair	Caspase-7	Homo sapiens (human)
positive regulation of neuron apoptotic process	Caspase-7	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (8)

Process	via Protein(s)	Taxonomy
RNA binding	Caspase-7	Homo sapiens (human)
aspartic-type endopeptidase activity	Caspase-7	Homo sapiens (human)
cysteine-type endopeptidase activity	Caspase-7	Homo sapiens (human)
protein binding	Caspase-7	Homo sapiens (human)
peptidase activity	Caspase-7	Homo sapiens (human)
cysteine-type peptidase activity	Caspase-7	Homo sapiens (human)
cysteine-type endopeptidase activity involved in apoptotic process	Caspase-7	Homo sapiens (human)
cysteine-type endopeptidase activity involved in execution phase of apoptosis	Caspase-7	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (5)

Process	via Protein(s)	Taxonomy
extracellular space	Caspase-7	Homo sapiens (human)
nucleus	Caspase-7	Homo sapiens (human)
cytoplasm	Caspase-7	Homo sapiens (human)
cytosol	Caspase-7	Homo sapiens (human)
nucleus	Caspase-7	Homo sapiens (human)
nucleoplasm	Caspase-7	Homo sapiens (human)
cytosol	Caspase-7	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay ID	Title	Year	Journal	Article
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. 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.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. 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.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. 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.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, 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)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	1 (20.00)	29.6817
2010's	3 (60.00)	24.3611
2020's	1 (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.

Metric	This Compound (vs All)
Research Demand Index	12.56 (24.57)
Research Supply Index	1.79 (2.92)
Research Growth Index	4.36 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	5 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Condition	Indicated	Relationship Strength	Studies	Trials
Innate Inflammatory Response [description not available]	0	2.05	1	0
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.	0	2.05	1	0