Page last updated: 2024-11-08

2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole

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 CID497456
CHEMBL ID412603
CHEBI ID107086
SCHEMBL ID2491367

Synonyms (34)

Synonym
2-(4-nitro-benzylsulfanyl)-benzooxazole
2-[(4-nitrobenzyl)thio]-1,3-benzoxazole
smr000184778
MLS000576088 ,
CBDIVE_007715
OPREA1_326141
benzoxazole, 2-[[(4-nitrophenyl)methyl]thio]-
2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzoxazole
SR-01000420964-2
OPREA1_497416
CHEBI:107086
AKOS000524328
CHEMBL412603
2-(4-nitrobenzylsulfanyl)benzoxazole
STK862898
2-[(4-nitrobenzyl)sulfanyl]-1,3-benzoxazole
CCG-53078
HMS2383A03
F0016-0064 ,
2-((4-nitrobenzyl)thio)benzo[d]oxazole
100537-64-2
cid_497456
2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole
bdbm76442
SCHEMBL2491367
cambridge id 5209221
Q27185023
DTXSID10333275
sr-01000420964
SR-01000420964-1
Z19652055
CS-0335761
2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzoxazole
1,3-benzoxazol-2-yl (4-nitrobenzyl) sulfide
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
benzoxazoleCompounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton.
[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 (19)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
LuciferasePhotinus pyralis (common eastern firefly)Potency2.39340.007215.758889.3584AID588342
glp-1 receptor, partialHomo sapiens (human)Potency10.00000.01846.806014.1254AID624417
BRCA1Homo sapiens (human)Potency1.12200.89137.722525.1189AID624202
chaperonin-containing TCP-1 beta subunit homologHomo sapiens (human)Potency89.12513.981127.764939.8107AID504842
ATAD5 protein, partialHomo sapiens (human)Potency6.43130.004110.890331.5287AID504466; AID504467
Microtubule-associated protein tauHomo sapiens (human)Potency14.12540.180013.557439.8107AID1460
P53Homo sapiens (human)Potency11.22020.07319.685831.6228AID504706
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency0.63100.01262.451825.0177AID485313
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency0.73080.00419.984825.9290AID504444
ras-related protein Rab-9AHomo sapiens (human)Potency0.89130.00022.621531.4954AID485297
serine/threonine-protein kinase PLK1Homo sapiens (human)Potency21.19230.168316.404067.0158AID720504
survival motor neuron protein isoform dHomo sapiens (human)Potency7.94330.125912.234435.4813AID1458
lamin isoform A-delta10Homo sapiens (human)Potency35.48130.891312.067628.1838AID1487
Rap guanine nucleotide exchange factor 4Homo sapiens (human)Potency35.48133.981146.7448112.2020AID720708
[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)
SUMO-1-specific proteaseHomo sapiens (human)IC50 (µMol)23.30000.805019.346187.7000AID488921
SUMO1/sentrin specific peptidase 7Homo sapiens (human)IC50 (µMol)7.69001.64007.264823.9000AID488904
caspase-3 isoform a preproproteinHomo sapiens (human)IC50 (µMol)25.60000.025620.323574.3000AID488901
sentrin-specific protease 8Homo sapiens (human)IC50 (µMol)16.20000.040818.929294.8000AID488903
Protein skinhead-1Caenorhabditis elegansIC50 (µMol)100.00007.390021.523843.9000AID624474
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (10)

Processvia Protein(s)Taxonomy
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 (5)

Processvia Protein(s)Taxonomy
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
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 (37)

Assay IDTitleYearJournalArticle
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2014Journal of biomolecular screening, Jul, Volume: 19, Issue:6
A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
AID144149In vitro inhibition of Mycobacterium Kansasi (My 235/80) growth after 7 days culture.2002Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22
Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID144150In vitro inhibition of Mycobacterium Kansasi (My 6 509/96) growth after 14 days culture.2002Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22
Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID144148In vitro inhibition of Mycobacterium Kansasi (My 235/80) growth after 21 days culture.2002Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22
Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID145146In vitro inhibition of Mycobacterium Tuberculosis (My 331/88) growth after 21 days culture.2002Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22
Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373115Antimycobacterial activity against Mycobacterium kansasii CNCTC My 235/80 after 21 days by micromethod2009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID143841In vitro inhibition of Mycobacterium Avium (My 330/88) growth after 21 days culture.2002Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22
Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373112Antimycobacterial activity against Mycobacterium tuberculosis CNCTC My 331/88 after 21 days by micromethod2009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID373114Antimycobacterial activity against Mycobacterium kansasii CNCTC My 235/80 after 14 days by micromethod2009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID373111Antimycobacterial activity against Mycobacterium tuberculosis CNCTC My 331/88 after 14 days by micromethod2009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID144147In vitro inhibition of Mycobacterium Kansasi (My 235/80) growth after 14 days culture.2002Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22
Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID144151In vitro inhibition of Mycobacterium Kansasi (My 6 509/96) growth after 21 days culture.2002Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22
Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373117Antimycobacterial activity against Mycobacterium kansasii 6509/96 after 14 days by micromethod2009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID145145In vitro inhibition of Mycobacterium Tuberculosis (My 331/88) growth after 14 days culture.2002Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22
Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID144152In vitro inhibition of Mycobacterium Kansasi (My 6 509/96) growth after 7 days culture.2002Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22
Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373118Antimycobacterial activity against Mycobacterium kansasii 6509/96 after 21 days by micromethod2009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID373119Antimycobacterial activity against Mycobacterium avium CNCTC My 330/88 after 14 days by micromethod2009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID373120Antimycobacterial activity against Mycobacterium avium CNCTC My 330/88 after 21 days by micromethod2009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID373113Antimycobacterial activity against Mycobacterium kansasii CNCTC My 235/80 after 7 days by micromethod2009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID143722In vitro inhibition of Mycobacterium Avium growth after 14 days culture.2002Bioorganic & medicinal chemistry letters, Nov-18, Volume: 12, Issue:22
Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.
AID373116Antimycobacterial activity against Mycobacterium kansasii 6509/96 after 7 days by micromethod2009European journal of medicinal chemistry, May, Volume: 44, Issue:5
Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal 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.
AID1159537qHTS screening for TAG (triacylglycerol) accumulators in algae2017Plant physiology, Aug, Volume: 174, Issue:4
Identification and Metabolite Profiling of Chemical Activators of Lipid Accumulation in Green Algae.
[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's3 (27.27)29.6817
2010's6 (54.55)24.3611
2020's2 (18.18)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 11.89

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 Index11.89 (24.57)
Research Supply Index2.48 (2.92)
Research Growth Index4.37 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (11.89)

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%
Other11 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]