Compounds > 7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Page last updated: 2024-09-20

7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione

Cross-References

ID SourceID
PubMed CID6759
CHEMBL ID1397833
CHEBI ID95299
SCHEMBL ID7707

Synonyms (35)

Synonym
BRD-K70246307-001-02-5
SDCCGMLS-0066869.P001
tnp00212
NCGC00017291-01
NCGC00016332-01
SMP1_000262
BSPBIO_002264
NCGC00178733-01
SPBIO_000699
SPECTRUM2_000660
SPECTRUM1505347
HMS2093D07
HMS1922F06
CHEMBL1397833
nsc758973
pharmakon1600-01505347
nsc-758973
CCG-40022
NCGC00016332-02
FT-0645141
NCGC00016332-03
SCHEMBL7707
AB01563308_01
CHEBI:95299
SR-05000001670-1
SR-05000001670-2
sr-05000001670
SBI-0206746.P001
7,8-dimethyl-10-((2r,3r,4s)-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3h,10h)-dione
riboflavin (b2)
riboflavin binding protein from chicken egg white
Q27167158
riboflavin, usp grade
BRD-K70246307-001-03-3
1195174-65-2

Drug Classes (1)

ClassDescription
flavinA derivative of the dimethylisoalloxazine (7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione) skeleton, with a substituent on the 10 position.
[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]

Pathways (1)

7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione is involved in 1 pathway(s), involving a total of 3 unique proteins and 5 unique compounds

PathwayProteinsCompounds
5,6-dimethylbenzimidazole biosynthesis35

Protein Targets (19)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Breast cancer type 1 susceptibility proteinHomo sapiens (human)Potency3.98111.258920.440939.8107AID875
Chain A, Putative fructose-1,6-bisphosphate aldolaseGiardia intestinalisPotency7.92450.140911.194039.8107AID2451
Chain A, HADH2 proteinHomo sapiens (human)Potency12.58930.025120.237639.8107AID893
Chain B, HADH2 proteinHomo sapiens (human)Potency12.58930.025120.237639.8107AID893
Chain A, 2-oxoglutarate OxygenaseHomo sapiens (human)Potency7.07950.177814.390939.8107AID2147
Chain A, Ferritin light chainEquus caballus (horse)Potency11.22025.623417.292931.6228AID485281
USP1 protein, partialHomo sapiens (human)Potency31.62280.031637.5844354.8130AID504865
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency11.22020.011212.4002100.0000AID1030
EWS/FLI fusion proteinHomo sapiens (human)Potency29.76200.001310.157742.8575AID1259253; AID1259256
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency6.30960.035520.977089.1251AID504332
cytochrome P450 2D6 isoform 1Homo sapiens (human)Potency22.10610.00207.533739.8107AID891
cytochrome P450 2C19 precursorHomo sapiens (human)Potency9.44950.00255.840031.6228AID899
ubiquitin carboxyl-terminal hydrolase 2 isoform aHomo sapiens (human)Potency10.00000.65619.452025.1189AID927
histone acetyltransferase KAT2A isoform 1Homo sapiens (human)Potency12.58930.251215.843239.8107AID504327
caspase-1 isoform alpha precursorHomo sapiens (human)Potency10.00000.000311.448431.6228AID900
lethal factor (plasmid)Bacillus anthracis str. A2012Potency12.58930.020010.786931.6228AID912
Caspase-7Homo sapiens (human)Potency10.00003.981118.585631.6228AID889
Disintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)Potency10.00001.584913.004325.1189AID927
[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)
NPYLR7BAedes aegypti (yellow fever mosquito)EC50 (µMol)0.03900.03902.289918.3000AID1259426
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (54)

Processvia Protein(s)Taxonomy
proteolysisCaspase-7Homo sapiens (human)
apoptotic processCaspase-7Homo sapiens (human)
heart developmentCaspase-7Homo sapiens (human)
response to UVCaspase-7Homo sapiens (human)
protein processingCaspase-7Homo sapiens (human)
protein catabolic processCaspase-7Homo sapiens (human)
defense response to bacteriumCaspase-7Homo sapiens (human)
fibroblast apoptotic processCaspase-7Homo sapiens (human)
striated muscle cell differentiationCaspase-7Homo sapiens (human)
neuron apoptotic processCaspase-7Homo sapiens (human)
protein maturationCaspase-7Homo sapiens (human)
lymphocyte apoptotic processCaspase-7Homo sapiens (human)
cellular response to lipopolysaccharideCaspase-7Homo sapiens (human)
cellular response to staurosporineCaspase-7Homo sapiens (human)
execution phase of apoptosisCaspase-7Homo sapiens (human)
positive regulation of plasma membrane repairCaspase-7Homo sapiens (human)
positive regulation of neuron apoptotic processCaspase-7Homo sapiens (human)
positive regulation of epidermal growth factor receptor signaling pathwayDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
response to hypoxiaDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
neutrophil mediated immunityDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
germinal center formationDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of leukocyte chemotaxisDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
proteolysisDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
membrane protein ectodomain proteolysisDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
cell adhesionDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
Notch receptor processingDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of cell population proliferationDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
response to xenobiotic stimulusDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of T cell chemotaxisDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
protein processingDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
signal releaseDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
B cell differentiationDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of cell growthDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of cell migrationDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathwayDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
response to lipopolysaccharideDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of chemokine productionDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of tumor necrosis factor productionDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
regulation of mast cell apoptotic processDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
T cell differentiation in thymusDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
cell adhesion mediated by integrinDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
wound healing, spreading of epidermal cellsDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
amyloid precursor protein catabolic processDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of blood vessel endothelial cell migrationDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of cyclin-dependent protein serine/threonine kinase activityDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of epidermal growth factor-activated receptor activityDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of epidermal growth factor receptor signaling pathwayDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
spleen developmentDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
cell motilityDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
defense response to Gram-positive bacteriumDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
cellular response to high density lipoprotein particle stimulusDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
commissural neuron axon guidanceDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
negative regulation of cold-induced thermogenesisDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of G1/S transition of mitotic cell cycleDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of tumor necrosis factor-mediated signaling pathwayDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
positive regulation of vascular endothelial cell proliferationDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
Notch signaling pathwayDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (20)

Processvia Protein(s)Taxonomy
RNA bindingCaspase-7Homo sapiens (human)
aspartic-type endopeptidase activityCaspase-7Homo sapiens (human)
cysteine-type endopeptidase activityCaspase-7Homo sapiens (human)
protein bindingCaspase-7Homo sapiens (human)
peptidase activityCaspase-7Homo sapiens (human)
cysteine-type peptidase activityCaspase-7Homo sapiens (human)
cysteine-type endopeptidase activity involved in apoptotic processCaspase-7Homo sapiens (human)
cysteine-type endopeptidase activity involved in execution phase of apoptosisCaspase-7Homo sapiens (human)
endopeptidase activityDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
metalloendopeptidase activityDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
Notch bindingDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
interleukin-6 receptor bindingDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
integrin bindingDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
protein bindingDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
peptidase activityDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
metallopeptidase activityDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
SH3 domain bindingDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
cytokine bindingDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
PDZ domain bindingDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
tumor necrosis factor bindingDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
metal ion bindingDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
metalloendopeptidase activity involved in amyloid precursor protein catabolic processDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (16)

Processvia Protein(s)Taxonomy
extracellular spaceCaspase-7Homo sapiens (human)
nucleusCaspase-7Homo sapiens (human)
cytoplasmCaspase-7Homo sapiens (human)
cytosolCaspase-7Homo sapiens (human)
nucleusCaspase-7Homo sapiens (human)
nucleoplasmCaspase-7Homo sapiens (human)
cytosolCaspase-7Homo sapiens (human)
cell-cell junctionDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
focal adhesionDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
ruffle membraneDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
Golgi membraneDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
cytoplasmDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
endoplasmic reticulum lumenDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
cytosolDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
plasma membraneDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
cell surfaceDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
actin cytoskeletonDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
membraneDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
apical plasma membraneDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
membrane raftDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
plasma membraneDisintegrin and metalloproteinase domain-containing protein 17Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (37)

Assay IDTitleYearJournalArticle
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1508627Counterscreen qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: GLuc-NoTag assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508628Confirmatory qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1508629Cell Viability qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
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.
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.
AID1347411qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID603957Octanol-water partition coefficient, log P of the compound2008European journal of medicinal chemistry, Apr, Volume: 43, Issue:4
QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (11)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (9.09)29.6817
2010's4 (36.36)24.3611
2020's6 (54.55)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%
Other11 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
ethylene dichloride[no description available]medium10chloroethaneshepatotoxic agent;
mutagen;
non-polar solvent
1,2,4-trichlorobenzene[no description available]medium10trichlorobenzene
benzene[no description available]medium10aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
octane[no description available]medium10alkanexenobiotic
naphthalene[no description available]medium10naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
niacinamide[no description available]medium10pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
orotic acid[no description available]medium10pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
4-aminobenzoic acid[no description available]medium10aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
phenanthrene[no description available]medium10ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite
dimethyl sulfide[no description available]medium10aliphatic sulfidealgal metabolite;
bacterial xenobiotic metabolite;
EC 3.5.1.4 (amidase) inhibitor;
Escherichia coli metabolite;
marine metabolite
thiamine[no description available]medium10primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
toluene[no description available]medium10methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
benzo(a)pyrene[no description available]medium10ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
vitamin k 3[no description available]medium101,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
4-dichlorobenzene[no description available]medium10dichlorobenzeneinsecticide
procaine[no description available]medium10benzoate ester;
substituted aniline;
tertiary amino compound		central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug
1,2,5,6-dibenzanthracene[no description available]medium10ortho-fused polycyclic arenemutagen
carbon tetrachloride[no description available]medium10chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
benz(a)anthracene[no description available]medium10ortho-fused polycyclic arene;
tetraphenes
adenosine monophosphate[no description available]medium10adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
1,1,1-trichloroethane[no description available]medium10chloroethanespolar solvent
ethyl chloride[no description available]medium10chloroethanesantipruritic drug;
inhalation anaesthetic;
local anaesthetic
trichlorofluoromethane[no description available]medium10chlorofluorocarbon;
halomethane		environmental contaminant;
NMR chemical shift reference compound;
NMR solvent;
refrigerant
pentachloroethane[no description available]medium10chloroethanesnon-polar solvent
isopentane[no description available]medium10alkanerefrigerant
trichloroethylene[no description available]medium10chloroethenesinhalation anaesthetic;
mouse metabolite
1,1,2,2-tetrachloroethane[no description available]medium10chloroethanes
pantothenic acid[no description available]medium10pantothenic acid;
vitamin B5		antidote to curare poisoning;
geroprotector;
human blood serum metabolite
acenaphthene[no description available]medium10acenaphthenes
fluorene[no description available]medium10ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon
1,2,3-trichlorobenzene[no description available]medium10trichlorobenzene
hexamethylbenzene[no description available]medium10methylbenzene
1-methylnaphthalene[no description available]medium10methylnaphthalenecarcinogenic agent;
plant metabolite
1-chloronaphthalene[no description available]medium10
2-methylnaphthalene[no description available]medium10methylnaphthalene
2-chloronaphthalene[no description available]medium10
naphthacene[no description available]medium10acene;
tetracenes
diphenyl[no description available]medium10aromatic fungicide;
benzenes;
biphenyls		antifungal agrochemical;
antimicrobial food preservative
2-xylene[no description available]medium10xylene
2-chlorotoluene[no description available]medium10
2-dichlorobenzene[no description available]medium10dichlorobenzenehepatotoxic agent;
metabolite
pseudocumene[no description available]medium10trimethylbenzeneneurotoxin
durene[no description available]medium10tetramethylbenzene
1,2,4,5-tetrachlorobenzene[no description available]medium10tetrachlorobenzene
tert-butylbenzene[no description available]medium10
cumene[no description available]medium10alkylbenzene
4-cymene[no description available]medium10monoterpene;
toluenes		human urinary metabolite;
plant metabolite;
volatile oil component
ethylbenzene[no description available]medium10alkylbenzene
1,2-dihydrostilbene[no description available]medium10diphenylethane
n-propylbenzene[no description available]medium10alkylbenzene
n-butylbenzene[no description available]medium10alkylbenzene
1,4-dibromobenzene[no description available]medium10dibromobenzene
4-xylene[no description available]medium10xylene
4-chlorotoluene[no description available]medium10monochlorobenzenes
ethylene dibromide[no description available]medium10bromoalkane;
bromohydrocarbon		algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen
butane[no description available]medium10alkane;
gas molecular entity		food propellant;
refrigerant
1-butene[no description available]medium10butene
2-methylpentane[no description available]medium10alkane
3-xylene[no description available]medium10xylene
mesitylene[no description available]medium10trimethylbenzene
1,3,5-trichlorobenzene[no description available]medium10trichlorobenzene
bromobenzene[no description available]medium10bromoarene;
bromobenzenes;
volatile organic compound		hepatotoxic agent;
mouse metabolite;
non-polar solvent
chlorobenzene[no description available]medium10monochlorobenzenessolvent
pentane[no description available]medium10alkane;
volatile organic compound		non-polar solvent;
refrigerant
1-pentene[no description available]medium10
butyl chloride[no description available]medium10
n-hexane[no description available]medium10alkane;
volatile organic compound		neurotoxin;
non-polar solvent
cyclohexane[no description available]medium10cycloalkane;
volatile organic compound		non-polar solvent
cyclohexene[no description available]medium10cycloalkene
nonane[no description available]medium10alkaneplant metabolite;
volatile oil component
hexachlorobenzene[no description available]medium10aromatic fungicide;
chlorobenzenes		antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant
anthracene[no description available]medium10acene;
anthracenes;
ortho-fused tricyclic hydrocarbon
n-heptane[no description available]medium10alkane;
volatile organic compound		non-polar solvent;
plant metabolite
1,12-benzoperylene[no description available]medium10ortho- and peri-fused polycyclic arene
benzo(e)pyrene[no description available]medium10ortho- and peri-fused polycyclic arenecarcinogenic agent;
mutagen
perylene[no description available]medium10ortho- and peri-fused polycyclic arene;
perylenes
benzo(j)fluoranthene[no description available]medium10naphthalenes
benzo(b)fluoranthene[no description available]medium10ortho- and peri-fused polycyclic arenemutagen
fluoranthene[no description available]medium10ortho- and peri-fused polycyclic arene
benzo(k)fluoranthene[no description available]medium10naphthalenes
triphenylene[no description available]medium10ortho-fused polycyclic arene
chrysene[no description available]medium10ortho-fused polycyclic areneplant metabolite
dibenzo(aj)anthracene[no description available]medium10phenanthrenes
benzo(a)fluorene[no description available]medium10carbotetracyclic compound
benzo(b)fluorene[no description available]medium10carbotetracyclic compound
adamantane[no description available]medium10adamantanes;
polycyclic alkane
cyclopentane[no description available]medium10cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent
cyclooctane[no description available]medium10
diethyl sulfide[no description available]medium10ethyl sulfide
fluorobenzenes[no description available]medium10monofluorobenzenesNMR chemical shift reference compound
cholanthrene[no description available]medium10
menadiol[no description available]medium10methylnaphthalenes;
naphthalenediols;
naphthohydroquinone
hemimellitene[no description available]medium10trimethylbenzeneneurotoxin;
plant metabolite
1-chloropropane[no description available]medium10
2,2,4-trimethylpentane[no description available]medium10alkane;
volatile organic compound		fuel additive;
nephrotoxin;
non-polar solvent
1,3-dichlorobenzene[no description available]medium10dichlorobenzene
1-chlorohexane[no description available]medium10
1,4-dimethylnaphthalene[no description available]medium10dimethylnaphthalene
2,6-dimethylnaphthalene[no description available]medium10dimethylnaphthaleneenvironmental contaminant
1,2-dibromobenzene[no description available]medium10dibromobenzene
iodobenzene[no description available]medium10
1-hexene[no description available]medium10alkene
pentachlorobenzene[no description available]medium10pentachlorobenzenespersistent organic pollutant
2-methylanthracene[no description available]medium10
1,2,3,4-tetrachlorobenzene[no description available]medium10tetrachlorobenzene
1,2,3,5-tetrachlorobenzene[no description available]medium10tetrachlorobenzene
9-methylanthracene[no description available]medium10
9,10-dimethylanthracene[no description available]medium10
undecane[no description available]medium10alkane
d-alpha tocopherol[no description available]medium10alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
6-methylchrysene[no description available]medium10carbopolycyclic compound
decane[no description available]medium10alkane
12-methylbenzanthracene[no description available]medium10
2-methylphenanthrene[no description available]medium10
7-methylbenzanthracene[no description available]medium10
5-methylchrysene[no description available]medium10carbopolycyclic compound
5,6-dimethylchrysene[no description available]medium10
7-ethylbenz(a)anthracene[no description available]medium10
tetrachloroethylene[no description available]medium10chlorocarbon;
chloroethenes		nephrotoxic agent
pyrene[no description available]medium10ortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant
2,3,4,5-tetrachlorobiphenyl[no description available]medium10tetrachlorobenzene;
tetrachlorobiphenyl
2,5-dichlorobiphenyl[no description available]medium10dichlorobenzene;
dichlorobiphenyl
2,4'-dichlorobiphenyl[no description available]medium10dichlorobiphenyl;
monochlorobenzenes
2,4,6-trichlorobiphenyl[no description available]medium10
biotin[no description available]medium10biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
2-chlorobiphenyl[no description available]medium10monochlorobiphenyl
7-dehydrocholesterol[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
Delta(5),Delta(7)-sterol		human metabolite;
mouse metabolite
retinol[no description available]medium10retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
vitamin d 2[no description available]medium10hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
cholecalciferol[no description available]medium10D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite
rutin[no description available]medium10disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
vitamin k 1[no description available]medium10phylloquinones;
vitamin K		cofactor;
human metabolite;
plant metabolite
vitamin a2[no description available]medium10retinoid;
vitamin A		human xenobiotic metabolite;
marine xenobiotic metabolite;
mouse metabolite
ascorbic acid[no description available]medium10ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
folic acid[no description available]medium10folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine[no description available]low00flavin
lumiflavin[no description available]low00flavin
riboflavin tetrabutyrate[no description available]low00flavin
riboflavin[no description available]low00flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
10H-phenanthro[9,10-g]pteridine-11,13-dione[no description available]low00flavin
2,3,4,10-tetrahydro-7,10-dimethyl-2,4-dioxobenzo(g)pteridine[no description available]low00flavin
ConditionIndicatedRelationship StrengthStudiesTrials
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Disease Models, Animal0low10
Encephalitis, Polio0low10
Epidemic Acute Poliomyelitis0low10
Fever, Zika0low10
Infantile Paralysis0low10
Polio0low10
Polio Encephalitis0low10
Poliomyelitis0low10
Poliomyelitis Infection0low10
Poliomyelitis, Acute0low10
Poliomyelitis, Nonpoliovirus0low10
Poliomyelitis, Preparalytic0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Bioavailability (1)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]