Compounds > 2-[[3-[(2-ethoxy-2-oxoethyl)thio]-5-oxo-2H-1,2,4-triazin-6-yl]amino]acetic acid butyl ester
Page last updated: 2024-10-15

2-[[3-[(2-ethoxy-2-oxoethyl)thio]-5-oxo-2H-1,2,4-triazin-6-yl]amino]acetic acid butyl ester

Cross-References

ID SourceID
PubMed CID135412049
CHEMBL ID1444960
CHEBI ID111240
SCHEMBL ID18576373

Synonyms (21)

Synonym
(3-ethoxycarbonylmethylsulfanyl-5-oxo-4,5-dihydro-[1,2,4]triazin-6-ylamino)-acetic acid butyl ester
MLS000029458 ,
CBMICRO_041875
BIM-0041782.P001
smr000009615
CHEBI:111240
AKOS000533585
butyl 2-[[3-(2-ethoxy-2-oxoethyl)sulfanyl-5-oxo-2h-1,2,4-triazin-6-yl]amino]acetate
MLS002535886
CCG-3815
HMS2286H09
AKOS005633336
CHEMBL1444960
butyl 2-[[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-oxidanylidene-2h-1,2,4-triazin-6-yl]amino]ethanoate
2-[[3-[(2-ethoxy-2-keto-ethyl)thio]-5-keto-2h-1,2,4-triazin-6-yl]amino]acetic acid butyl ester
2-[[3-[(2-ethoxy-2-oxoethyl)thio]-5-oxo-2h-1,2,4-triazin-6-yl]amino]acetic acid butyl ester
cid_649654
bdbm70260
Q27190855
butyl 2-({3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl}amino)acetate
SCHEMBL18576373
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
alpha-amino acid esterThe 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 (27)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency8.91250.003245.467312,589.2998AID2517
Chain A, Beta-lactamaseEscherichia coli K-12Potency0.79430.044717.8581100.0000AID485294
Chain A, HADH2 proteinHomo sapiens (human)Potency1.99530.025120.237639.8107AID886
Chain B, HADH2 proteinHomo sapiens (human)Potency1.99530.025120.237639.8107AID886
thioredoxin reductaseRattus norvegicus (Norway rat)Potency11.22020.100020.879379.4328AID588453
WRNHomo sapiens (human)Potency63.09570.168331.2583100.0000AID651768
phosphopantetheinyl transferaseBacillus subtilisPotency19.95260.141337.9142100.0000AID1490
TDP1 proteinHomo sapiens (human)Potency14.33940.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency26.20000.180013.557439.8107AID1460; AID1468
thioredoxin glutathione reductaseSchistosoma mansoniPotency14.12540.100022.9075100.0000AID485364
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency25.11890.011212.4002100.0000AID1030
thyroid stimulating hormone receptorHomo sapiens (human)Potency15.84890.001318.074339.8107AID926; AID938
hypothetical protein, conservedTrypanosoma bruceiPotency14.12540.223911.245135.4813AID624173
regulator of G-protein signaling 4Homo sapiens (human)Potency79.43280.531815.435837.6858AID504845
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency3.98110.035520.977089.1251AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency39.81070.001815.663839.8107AID894
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency17.86480.354828.065989.1251AID504847; AID602199; AID602200
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency13.37140.168316.404067.0158AID720504
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.12510.050127.073689.1251AID588590
gemininHomo sapiens (human)Potency30.86780.004611.374133.4983AID624296; AID624297
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency39.81070.00419.962528.1838AID2675
DNA dC->dU-editing enzyme APOBEC-3G isoform 1Homo sapiens (human)Potency35.48130.058010.694926.6086AID602310
lamin isoform A-delta10Homo sapiens (human)Potency35.48130.891312.067628.1838AID1487
[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)
polyadenylate-binding protein 1Homo sapiens (human)IC50 (µMol)66.00004.910023.702976.1900AID602259; AID602260
fatty acid synthaseHomo sapiens (human)IC50 (µMol)8.33000.16605.647218.2000AID624326; AID624327
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
recombinase AMycobacterium tuberculosis H37RvEC50 (µMol)7.90500.018023.2882287.6000AID434968; AID435010
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
replicative DNA helicaseMycobacterium tuberculosis H37RvAC50191.33050.057030.7482325.3000AID449749; AID449750
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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
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.
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.
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.
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.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

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%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
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