Page last updated: 2024-11-09

3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid

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 CID1719457
CHEMBL ID1306943
CHEBI ID116871
SCHEMBL ID5167048
SCHEMBL ID5167037

Synonyms (21)

Synonym
AKOS000449516
3-(5,8-dinitro-1,3-dioxo-1h,3h-benzo[de]isoquinolin-2-yl)-benzoic acid
OPREA1_786835
smr000513503
MLS001210509 ,
OPREA1_657375
CHEBI:116871
3-(5,8-dinitro-1,3-dioxo-1h-benzo[de]isoquinolin-2(3h)-yl)benzoic acid
STK669477
3-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid
CHEMBL1306943
HMS2830A24
bdbm94260
3-(1,3-diketo-5,8-dinitro-benzo[de]isoquinolin-2-yl)benzoic acid
3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid
cid_1719457
3-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid
SCHEMBL5167048
SCHEMBL5167037
Q27203093
3-[5,8-dinitro-1,3-dioxo-1h-benzo[de]isoquinolin-2(3h)-yl]benzoic acid
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
nitronaphthaleneA nitroarene that is naphthalene substituted by at least one nitro group.
[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 (35)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency17.78280.140911.194039.8107AID2451
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency50.11870.631035.7641100.0000AID504339
glp-1 receptor, partialHomo sapiens (human)Potency14.12540.01846.806014.1254AID624417
thioredoxin reductaseRattus norvegicus (Norway rat)Potency11.22020.100020.879379.4328AID588453
WRNHomo sapiens (human)Potency33.45310.168331.2583100.0000AID651768; AID720497
ATAD5 protein, partialHomo sapiens (human)Potency0.18350.004110.890331.5287AID504467
GLS proteinHomo sapiens (human)Potency25.11890.35487.935539.8107AID624170
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686978
thioredoxin glutathione reductaseSchistosoma mansoniPotency1.99530.100022.9075100.0000AID485364
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency11.22020.28189.721235.4813AID2326
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency56.23410.707936.904389.1251AID504333
IDH1Homo sapiens (human)Potency2.90930.005210.865235.4813AID686970
Bloom syndrome protein isoform 1Homo sapiens (human)Potency24.14890.540617.639296.1227AID720503
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency56.23410.354828.065989.1251AID504847
chromobox protein homolog 1Homo sapiens (human)Potency35.48130.006026.168889.1251AID540317
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency20.59620.00419.984825.9290AID504444
parathyroid hormone/parathyroid hormone-related peptide receptor precursorHomo sapiens (human)Potency141.25403.548119.542744.6684AID743266
transcriptional regulator ERG isoform 3Homo sapiens (human)Potency8.91250.794321.275750.1187AID624246
DNA polymerase betaHomo sapiens (human)Potency6.30960.022421.010289.1251AID485314
flap endonuclease 1Homo sapiens (human)Potency19.95260.133725.412989.1251AID588795
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency8.43680.168316.404067.0158AID720504
histone-lysine N-methyltransferase 2A isoform 2 precursorHomo sapiens (human)Potency31.62280.010323.856763.0957AID2662
DNA polymerase eta isoform 1Homo sapiens (human)Potency13.95760.100028.9256213.3130AID588591; AID720502
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency22.26140.050127.073689.1251AID588590; AID720496
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency13.53450.00798.23321,122.0200AID2546; AID2551
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency31.62280.075215.225339.8107AID485360
gemininHomo sapiens (human)Potency18.35640.004611.374133.4983AID624296
DNA polymerase kappa isoform 1Homo sapiens (human)Potency18.69510.031622.3146100.0000AID588579; AID720501
muscleblind-like protein 1 isoform 1Homo sapiens (human)Potency5.01190.00419.962528.1838AID2675
histone acetyltransferase KAT2A isoform 1Homo sapiens (human)Potency35.48130.251215.843239.8107AID504327
Guanine nucleotide-binding protein GHomo sapiens (human)Potency17.24671.995325.532750.1187AID624287; AID624288
Rap guanine nucleotide exchange factor 4Homo sapiens (human)Potency50.11873.981146.7448112.2020AID720708
phosphoglycerate kinaseTrypanosoma brucei brucei TREU927Potency17.71540.07578.474229.0628AID602233; 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)
Chain A, RNA-directed RNA polymerase NS5Dengue virus 2 16681-PDK53IC50 (µMol)26.67002.370054.1398100.0000AID588689
[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)
Caspase 6, apoptosis-related cysteine peptidaseHomo sapiens (human)AC508.47000.063611.235844.9700AID720632
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (13)

Processvia Protein(s)Taxonomy
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
adaptive immune responseRap guanine nucleotide exchange factor 4Homo sapiens (human)
G protein-coupled receptor signaling pathwayRap guanine nucleotide exchange factor 4Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathwayRap guanine nucleotide exchange factor 4Homo sapiens (human)
calcium-ion regulated exocytosisRap guanine nucleotide exchange factor 4Homo sapiens (human)
regulation of exocytosisRap guanine nucleotide exchange factor 4Homo sapiens (human)
insulin secretionRap guanine nucleotide exchange factor 4Homo sapiens (human)
positive regulation of insulin secretionRap guanine nucleotide exchange factor 4Homo sapiens (human)
regulation of synaptic vesicle cycleRap guanine nucleotide exchange factor 4Homo sapiens (human)
Ras protein signal transductionRap guanine nucleotide exchange factor 4Homo sapiens (human)
regulation of insulin secretionRap guanine nucleotide exchange factor 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (7)

Processvia Protein(s)Taxonomy
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
guanyl-nucleotide exchange factor activityRap guanine nucleotide exchange factor 4Homo sapiens (human)
protein bindingRap guanine nucleotide exchange factor 4Homo sapiens (human)
cAMP bindingRap guanine nucleotide exchange factor 4Homo sapiens (human)
protein-macromolecule adaptor activityRap guanine nucleotide exchange factor 4Homo sapiens (human)
small GTPase bindingRap guanine nucleotide exchange factor 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (4)

Processvia Protein(s)Taxonomy
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
cytosolRap guanine nucleotide exchange factor 4Homo sapiens (human)
plasma membraneRap guanine nucleotide exchange factor 4Homo sapiens (human)
membraneRap guanine nucleotide exchange factor 4Homo sapiens (human)
hippocampal mossy fiber to CA3 synapseRap guanine nucleotide exchange factor 4Homo sapiens (human)
plasma membraneRap guanine nucleotide exchange factor 4Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (14)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
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.
AID651635Viability 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 (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (16.67)29.6817
2010's4 (66.67)24.3611
2020's1 (16.67)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.35

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 Index12.35 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.30 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.35)

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%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]