Page last updated: 2024-12-11

3-(dimethylamino)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl 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 SourceID
PubMed CID5636759
CHEMBL ID1448854
CHEBI ID120508
SCHEMBL ID13856655

Synonyms (17)

Synonym
smr000150402
MLS000570338 ,
CHEBI:120508
(7-hydroxy-2-oxochromen-4-yl)methyl 3-(dimethylamino)benzoate
HMS1747P17
HMS2348F04
AB00533832-03
3-(dimethylamino)benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester
bdbm40720
(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(dimethylamino)benzoate
cid_5636759
3-(dimethylamino)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester
SCHEMBL13856655
CHEMBL1448854
Q27208358
Z18415940
AKOS033618547
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
hydroxycoumarinAny coumarin carrying at least one hydroxy substituent.
[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 (41)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency12.58930.003245.467312,589.2998AID2517
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency7.07950.004023.8416100.0000AID485290
Chain A, Beta-lactamaseEscherichia coli K-12Potency17.78280.044717.8581100.0000AID485341
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency44.66840.631035.7641100.0000AID504339
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency25.11890.177814.390939.8107AID2147
Chain A, Ferritin light chainEquus caballus (horse)Potency50.11875.623417.292931.6228AID485281
LuciferasePhotinus pyralis (common eastern firefly)Potency26.85450.007215.758889.3584AID588342
acid sphingomyelinaseHomo sapiens (human)Potency25.118914.125424.061339.8107AID504937
WRNHomo sapiens (human)Potency44.66840.168331.2583100.0000AID651768
GLS proteinHomo sapiens (human)Potency3.16230.35487.935539.8107AID624170
TDP1 proteinHomo sapiens (human)Potency21.14460.000811.382244.6684AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency15.84890.180013.557439.8107AID1460
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency8.91250.011212.4002100.0000AID1030
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency44.66840.707936.904389.1251AID504333
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency3.16230.01262.451825.0177AID485313
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency25.11890.001815.663839.8107AID894
chromobox protein homolog 1Homo sapiens (human)Potency70.79460.006026.168889.1251AID540317
importin subunit beta-1 isoform 1Homo sapiens (human)Potency39.15125.804836.130665.1308AID540253; AID540263
DNA polymerase betaHomo sapiens (human)Potency10.00000.022421.010289.1251AID485314
flap endonuclease 1Homo sapiens (human)Potency89.12510.133725.412989.1251AID588795
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency26.67950.168316.404067.0158AID720504
snurportin-1Homo sapiens (human)Potency39.15125.804836.130665.1308AID540253; AID540263
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency67.45550.425612.059128.1838AID504891
GTP-binding nuclear protein Ran isoform 1Homo sapiens (human)Potency28.18385.804816.996225.9290AID540253
DNA polymerase eta isoform 1Homo sapiens (human)Potency17.39890.100028.9256213.3130AID588591; AID720502
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency19.42010.050127.073689.1251AID588590; AID720496
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency10.06630.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency26.10110.004611.374133.4983AID624296; AID624297
DNA polymerase kappa isoform 1Homo sapiens (human)Potency49.16020.031622.3146100.0000AID588579; AID720501
survival motor neuron protein isoform dHomo sapiens (human)Potency3.98110.125912.234435.4813AID1458
DNA dC->dU-editing enzyme APOBEC-3F isoform aHomo sapiens (human)Potency14.12540.025911.239831.6228AID602313
lamin isoform A-delta10Homo sapiens (human)Potency35.48130.891312.067628.1838AID1487
Phosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)Potency14.12546.309615.344535.4813AID743286
Inositol monophosphatase 1Rattus norvegicus (Norway rat)Potency31.62281.000010.475628.1838AID1457
phosphoglycerate kinaseTrypanosoma brucei brucei TREU927Potency16.99130.07578.474229.0628AID602233; AID686980
[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)
Mcl-1Homo sapiens (human)IC50 (µMol)2.98270.40007.134454.0000AID1417
Ubiquitin-like modifier activating enzyme 2Homo sapiens (human)IC50 (µMol)14.18500.620016.325590.4600AID2006; AID2018
SUMO1 activating enzyme subunit 1Homo sapiens (human)IC50 (µMol)14.18500.620016.325590.4600AID2006; AID2018
SUMO-conjugating enzyme UBC9Homo sapiens (human)IC50 (µMol)14.18500.620016.325590.4600AID2006; AID2018
nuclear receptor subfamily 4 group A member 1 isoform 1Homo sapiens (human)IC50 (µMol)62.402014.856025.353734.6240AID748
BZLF2Human herpesvirus 4 type 2 (Epstein-Barr virus type 2)IC50 (µMol)54.00000.42004.434216.2300AID1419
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (8)

Processvia Protein(s)Taxonomy
regulation of autophagyPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
megakaryocyte developmentPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
negative regulation of insulin receptor signaling pathwayPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
autophagosome-lysosome fusionPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
vesicle-mediated cholesterol transportPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate biosynthetic processPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
positive regulation of autophagosome assemblyPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
phosphatidylinositol phosphate biosynthetic processPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (5)

Processvia Protein(s)Taxonomy
protein bindingPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
ATP bindingPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
1-phosphatidylinositol-4-phosphate 5-kinase activityPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
1-phosphatidylinositol-5-phosphate 4-kinase activityPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
protein homodimerization activityPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (7)

Processvia Protein(s)Taxonomy
photoreceptor outer segmentPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
photoreceptor inner segmentPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
nucleoplasmPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
lysosomePhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
autophagosomePhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
cytosolPhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
plasma membranePhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
plasma membranePhosphatidylinositol 5-phosphate 4-kinase type-2 alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (16)

Assay IDTitleYearJournalArticle
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
AID720501qHTS for Inhibitors of Polymerase Kappa: Confirmatory Assay for Cherry-picked Compounds2012PloS one, , Volume: 7, Issue:10
A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ.
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.
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (8)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (12.50)29.6817
2010's6 (75.00)24.3611
2020's1 (12.50)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.15

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.

MetricThis Compound (vs All)
Research Demand Index12.15 (24.57)
Research Supply Index2.20 (2.92)
Research Growth Index4.34 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.15)

All Compounds (24.57)

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%
Other8 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]