1-(4-methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone profile

ID Source	ID
PubMed CID	935829
CHEMBL ID	1308605
CHEBI ID	121950

Synonym
smr000148558
1-(4-methyl-piperidin-1-yl)-2-(3-methyl-quinoxalin-2-ylsulfanyl)-ethanone
MLS000557842
CHEBI:121950
AKOS002218474
1-(4-methylpiperidin-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanylethanone
1-(4-methylpiperidin-1-yl)-2-[(3-methylquinoxalin-2-yl)sulfanyl]ethanone
STK978285
CHEMBL1308605
HMS2390I08
1-(4-methylpiperidin-1-yl)-2-((3-methylquinoxalin-2-yl)thio)ethanone
573707-78-5
F1316-0090
AB00458399-08
1-(4-methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone
Q27210570
SR-01000011611-1
sr-01000011611
NCGC00295186-01

Class	Description
quinoxaline derivative	Any naphthyridine derivative that is a derivative of quinoxaline (1,4-naphthyridine).
[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 (11)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Beta-lactamase	Escherichia coli K-12	Potency	16.2086	0.0447	17.8581	100.0000	AID485294; AID485341
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	22.3872	5.6234	17.2929	31.6228	AID485281
TDP1 protein	Homo sapiens (human)	Potency	20.7329	0.0008	11.3822	44.6684	AID686978; AID686979
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	28.1838	0.0112	12.4002	100.0000	AID1030
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	20.5962	0.0041	9.9848	25.9290	AID504444
nuclear receptor ROR-gamma isoform 1	Mus musculus (house mouse)	Potency	17.9008	0.0079	8.2332	1,122.0200	AID2546; AID2551
muscleblind-like protein 1 isoform 1	Homo sapiens (human)	Potency	28.1838	0.0041	9.9625	28.1838	AID2675
relaxin receptor 1 isoform 1	Homo sapiens (human)	Potency	25.1189	0.0388	14.3501	43.6206	AID2676
neuropeptide S receptor isoform A	Homo sapiens (human)	Potency	10.0000	0.0158	12.3113	615.5000	AID1461
Guanine nucleotide-binding protein G	Homo sapiens (human)	Potency	13.8914	1.9953	25.5327	50.1187	AID624287; AID624288
Inositol monophosphatase 1	Rattus norvegicus (Norway rat)	Potency	12.5893	1.0000	10.4756	28.1838	AID1457; AID901
[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 (15)

Assay ID	Title	Year	Journal	Article
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.
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.
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
AID504787	Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3): TR-FRET-based biochemical high throughput assay to identify agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear rec	2006	Assay and drug development technologies, Jun, Volume: 4, Issue:3	Development of the high throughput screening assay for identification of agonists of an orphan nuclear receptor.
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.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	2 (28.57)	29.6817
2010's	4 (57.14)	24.3611
2020's	1 (14.29)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

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	7 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid [no description available]	2.03	1	biotins
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	2.03	1	1-benzofurans; aromatic ketone	uricosuric drug
9,10-phenanthrenequinone 9,10-phenanthrenequinone: structure	2.03	1	phenanthrenes
benzo(b)fluoranthene benzo[b]fluoranthene : An ortho- and peri-fused polycyclic arene that consists of a benzene ring fused with a acephenanthrylene ring.	2.03	1	ortho- and peri-fused polycyclic arene	mutagen
malononitrile dimer Malononitrile dimer: has antithyroid activity; inhibits conversion of monoiodotyrosine to diiodotyrosine	2.03	1
toxoflavin toxoflavin: azapteridine antibiotic; structure. toxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.	2.03	1	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor
methyl fluorone black methyl fluorone black: structure	2.03	1
6-hydroxydopa 6-hydroxydopa: RN given refers to cpd without isomeric designation	2.03	1	non-proteinogenic alpha-amino acid
biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.	2.03	1	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
desthiobiotin desthiobiotin: RN given refers to cpd without isomeric designation; structure. (4R,5S)-dethiobiotin : The (4R,5S)-isomer of dethiobiotin.	2.03	1	dethiobiotin
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione [no description available]	2.03	1	pyrimidotriazine
5-bromo-3-ethyl-1H-indole-2-carboxylic acid [no description available]	2.03	1	indolyl carboxylic acid
2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone [no description available]	2.03	1	benzofurans
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one [no description available]	2.03	1	quinazolines
2-amino-4-(4-chlorophenyl)-6-methyl-3-pyridinecarbonitrile [no description available]	2.03	1	phenylpyridine
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione [no description available]	2.03	1	pyrimidotriazine
N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-2-methyl-3-pyrazolecarboxamide [no description available]	2.03	1	methoxybenzenes
2-(4-fluorophenyl)-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione [no description available]	2.03	1	quinolines
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine [no description available]	2.03	1	phenylpyridine
3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one [no description available]	2.03	1	benzofurans
2-[(4-methylphenyl)sulfonylamino]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester [no description available]	2.03	1	alpha-amino acid ester
2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide [no description available]	2.03	1	benzimidazoles
2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide [no description available]	2.03	1	benzofurans
2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbothioamide [no description available]	2.03	1	toluenes
1-(3-methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone [no description available]	2.03	1	quinoxaline derivative
2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide [no description available]	2.03	1	quinolines
3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione [no description available]	2.03	1	triazoles
2-(2-quinoxalinylthio)propanoic acid [no description available]	2.03	1	quinoxaline derivative
ellagic acid [no description available]	2.03	1	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
3-bromo-7-hydroxy-4,8-dimethyl-1-benzopyran-2-one [no description available]	2.03	1	hydroxycoumarin
3-(3-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one [no description available]	2.03	1	benzofurans
6-(4-bromophenyl)-2-methyl-3-pyridinecarboxylic acid [no description available]	2.03	1	phenylpyridine
lissamine rhodamine b lissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion.	2.03	1	organic sodium salt	fluorescent probe; fluorochrome; histological dye
methacycline monohydrochloride [no description available]	2.03	1

Condition	Relationship Strength	Studies
Innate Inflammatory Response [description not available]	2.05	1
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.	2.05	1
Anemia, Fanconi [description not available]	2.13	1
Fanconi Anemia Congenital disorder affecting all bone marrow elements, resulting in ANEMIA; LEUKOPENIA; and THROMBOPENIA, and associated with cardiac, renal, and limb malformations as well as dermal pigmentary changes. Spontaneous CHROMOSOME BREAKAGE is a feature of this disease along with predisposition to LEUKEMIA. There are at least 7 complementation groups in Fanconi anemia: FANCA, FANCB, FANCC, FANCD1, FANCD2, FANCE, FANCF, FANCG, and FANCL. (from Online Mendelian Inheritance in Man, http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227650, August 20, 2004)	2.13	1

1-(4-methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone

Cross-References

Synonyms (19)

Drug Classes (1)

Protein Targets (11)

Potency Measurements

Biological Processes (5)

Molecular Functions (2)

Ceullar Components (1)

Bioassays (15)

Research

Studies (7)

Market Indicators

Research Demand Index: 12.20

Study Types

1-(4-methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone

Cross-References

Synonyms (19)

Drug Classes (1)

Protein Targets (11)

Potency Measurements

Biological Processes (5)

Molecular Functions (2)

Ceullar Components (1)

Bioassays (15)

Research

Studies (7)

Market Indicators

Research Demand Index: 12.20

Study Types

Related Drugs (34)

Related Conditions (4)