Compounds > 2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester

Page last updated: 2024-11-10

2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic 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 Source	ID
PubMed CID	4625720
CHEMBL ID	3208420
CHEBI ID	113151

Synonyms (17)

Synonym
smr000237894
MLS000697082 ,
CHEBI:113151
ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
HMS2532H12
AKOS024607456
(z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2h)-yl)acetate
F1366-2956
1164501-30-7
ethyl 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate
2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester
cid_4625720
2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester
bdbm43091
CHEMBL3208420
Q27193617
ethyl 2-[(2z)-2-[(3-chloro-1-benzothiophene-2-carbonyl)imino]-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate

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

Drug Classes (1)

Class	Description
alpha-amino acid ester	The amino acid ester derivative obtained the formal condensation of an alpha-amino acid with an alcohol.
[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 (21)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	22.3872	0.1778	14.3909	39.8107	AID2147
Chain A, Cruzipain	Trypanosoma cruzi	Potency	7.9433	0.0020	14.6779	39.8107	AID1476
ClpP	Bacillus subtilis	Potency	14.1254	1.9953	22.6730	39.8107	AID651965
Microtubule-associated protein tau	Homo sapiens (human)	Potency	19.9526	0.1800	13.5574	39.8107	AID1468
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	17.7828	0.0112	12.4002	100.0000	AID1030
bromodomain adjacent to zinc finger domain 2B	Homo sapiens (human)	Potency	89.1251	0.7079	36.9043	89.1251	AID504333
IDH1	Homo sapiens (human)	Potency	25.9290	0.0052	10.8652	35.4813	AID686970
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1	Homo sapiens (human)	Potency	28.1838	0.0018	15.6638	39.8107	AID894
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens (human)	Potency	75.6863	0.4256	12.0591	28.1838	AID504891
DNA polymerase eta isoform 1	Homo sapiens (human)	Potency	3.1623	0.1000	28.9256	213.3130	AID588591
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	12.5893	0.0501	27.0736	89.1251	AID588590
nuclear receptor ROR-gamma isoform 1	Mus musculus (house mouse)	Potency	22.3872	0.0079	8.2332	1,122.0200	AID2546
geminin	Homo sapiens (human)	Potency	9.1218	0.0046	11.3741	33.4983	AID624296; AID624297
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Ubiquitin-like modifier activating enzyme 2	Homo sapiens (human)	IC50 (µMol)	8.3600	0.6200	16.3255	90.4600	AID2006; AID2018
SUMO1 activating enzyme subunit 1	Homo sapiens (human)	IC50 (µMol)	8.3600	0.6200	16.3255	90.4600	AID2006; AID2018
SUMO-conjugating enzyme UBC9	Homo sapiens (human)	IC50 (µMol)	8.3600	0.6200	16.3255	90.4600	AID2006; AID2018
dual specificity protein phosphatase 3	Homo sapiens (human)	IC50 (µMol)	0.4000	0.4000	9.3610	90.0000	AID686961
low molecular weight phosphotyrosine protein phosphatase isoform c	Homo sapiens (human)	IC50 (µMol)	27.7000	4.9700	11.2567	19.6000	AID652005
tyrosine-protein phosphatase non-receptor type 22 isoform 1	Homo sapiens (human)	IC50 (µMol)	52.2000	0.4800	2.6449	8.3270	AID652006
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1	Homo sapiens (human)	IC50 (µMol)	2.0580	2.0580	8.2052	41.3880	AID540297
Low molecular weight phosphotyrosine protein phosphatase	Homo sapiens (human)	IC50 (µMol)	16.4000	2.8600	9.6336	17.2000	AID651700
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Molecular Functions (4)

Process	via Protein(s)	Taxonomy
acid phosphatase activity	Low molecular weight phosphotyrosine protein phosphatase	Homo sapiens (human)
protein tyrosine phosphatase activity	Low molecular weight phosphotyrosine protein phosphatase	Homo sapiens (human)
non-membrane spanning protein tyrosine phosphatase activity	Low molecular weight phosphotyrosine protein phosphatase	Homo sapiens (human)
protein binding	Low molecular weight phosphotyrosine protein phosphatase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (5)

Process	via Protein(s)	Taxonomy
cytoplasm	Low molecular weight phosphotyrosine protein phosphatase	Homo sapiens (human)
cytosol	Low molecular weight phosphotyrosine protein phosphatase	Homo sapiens (human)
cytoplasmic side of plasma membrane	Low molecular weight phosphotyrosine protein phosphatase	Homo sapiens (human)
sarcolemma	Low molecular weight phosphotyrosine protein phosphatase	Homo sapiens (human)
extracellular exosome	Low molecular weight phosphotyrosine protein phosphatase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay ID	Title	Year	Journal	Article
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.
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.
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.
AID1745845	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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
[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