Compounds > 1-[4-[[(5-methyl-7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester

Page last updated: 2024-10-15

1-[4-[[(5-methyl-7-oxo-4H-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester

Cross-References

ID Source	ID
PubMed CID	135442519
CHEMBL ID	1404683
CHEBI ID	109040

Synonyms (18)

Synonym
MLS000123983 ,
1-{4-[(7-hydroxy-5-methyl-isothiazolo[4,3-d]pyrimidine-3-carbonyl)-amino]-phenyl}-piperidine-3-carboxylic acid ethyl ester
smr000124447
CHEBI:109040
ethyl 1-[4-[(5-methyl-7-oxo-4h-[1,2]thiazolo[4,3-d]pyrimidine-3-carbonyl)amino]phenyl]piperidine-3-carboxylate
AKOS000762461
MLS002539426
HMS2469L16
AKOS024316025
1-[4-[[(5-methyl-7-oxo-4h-isothiazolo[4,3-d]pyrimidin-3-yl)-oxomethyl]amino]phenyl]-3-piperidinecarboxylic acid ethyl ester
cid_3231223
1-[4-[(7-keto-5-methyl-4h-isothiazolo[4,3-d]pyrimidine-3-carbonyl)amino]phenyl]nipecotic acid ethyl ester
bdbm50074
ethyl 1-[4-[(5-methyl-7-oxidanylidene-4h-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)carbonylamino]phenyl]piperidine-3-carboxylate
CHEMBL1404683
Q27188045
sr-01000347443
SR-01000347443-1

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

Drug Classes (1)

Class	Description
aromatic amide	An amide in which the amide linkage is bonded directly to an aromatic system.
[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 (12)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Luciferase	Photinus pyralis (common eastern firefly)	Potency	6.0120	0.0072	15.7588	89.3584	AID588342
Microtubule-associated protein tau	Homo sapiens (human)	Potency	2.8184	0.1800	13.5574	39.8107	AID1460
Smad3	Homo sapiens (human)	Potency	35.4813	0.0052	7.8098	29.0929	AID588855
apical membrane antigen 1, AMA1	Plasmodium falciparum 3D7	Potency	37.6858	0.7079	12.1943	39.8107	AID720542
PINK1	Homo sapiens (human)	Potency	17.7828	2.8184	18.8959	44.6684	AID624263
Parkin	Homo sapiens (human)	Potency	17.7828	0.8199	14.8306	44.6684	AID624263
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	39.8107	0.0501	27.0736	89.1251	AID588590
muscleblind-like protein 1 isoform 1	Homo sapiens (human)	Potency	10.0000	0.0041	9.9625	28.1838	AID2675
histone acetyltransferase KAT2A isoform 1	Homo sapiens (human)	Potency	2.5119	0.2512	15.8432	39.8107	AID504327
Guanine nucleotide-binding protein G	Homo sapiens (human)	Potency	2.8184	1.9953	25.5327	50.1187	AID624288
Inositol monophosphatase 1	Rattus norvegicus (Norway rat)	Potency	7.9433	1.0000	10.4756	28.1838	AID1457
[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)
Mcl-1	Homo sapiens (human)	IC50 (µMol)	5.2532	0.4000	7.1344	54.0000	AID1417
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (5)

Process	via Protein(s)	Taxonomy
negative regulation of inflammatory response to antigenic stimulus	Guanine nucleotide-binding protein G	Homo sapiens (human)
renal water homeostasis	Guanine nucleotide-binding protein G	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Guanine nucleotide-binding protein G	Homo sapiens (human)
regulation of insulin secretion	Guanine nucleotide-binding protein G	Homo sapiens (human)
cellular response to glucagon stimulus	Guanine nucleotide-binding protein G	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Process	via Protein(s)	Taxonomy
G protein activity	Guanine nucleotide-binding protein G	Homo sapiens (human)
adenylate cyclase activator activity	Guanine nucleotide-binding protein G	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Process	via Protein(s)	Taxonomy
plasma membrane	Guanine nucleotide-binding protein G	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay ID	Title	Year	Journal	Article
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.
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.
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.
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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]

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