Compounds > 2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone
Page last updated: 2024-12-09

2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone

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 CID1398345
CHEMBL ID400144
CHEBI ID92847

Synonyms (17)

Synonym
MLS-0390857.0001
CHEMBL400144 ,
smr001338940
MLS002415569 ,
cid_1398345
2-[4-allyl-5-(3-chlorophenyl)-4h-[1,2,4]triazol-3-ylsulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
2-(4-allyl-5-(3-chlorophenyl)-4h-1,2,4-triazol-3-ylthio)-1-(3,4-dihydroxyphenyl)ethanone
bdbm50237953
2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
HMS2201C19
SR-01000864040-2
sr-01000864040
HMS3339D22
CHEBI:92847
Q27164602
2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone
Z1436185579
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aromatic ketoneA ketone in which the carbonyl group is attached to an aromatic ring.
[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 (21)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency15.84890.631035.7641100.0000AID504339
WRNHomo sapiens (human)Potency17.78280.168331.2583100.0000AID651768
TDP1 proteinHomo sapiens (human)Potency14.58100.000811.382244.6684AID686978; AID686979
Smad3Homo sapiens (human)Potency6.30960.00527.809829.0929AID588855
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency25.11890.707912.194339.8107AID720542
bromodomain adjacent to zinc finger domain 2BHomo sapiens (human)Potency50.11870.707936.904389.1251AID504333
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)Potency79.43280.425612.059128.1838AID504891
DNA polymerase eta isoform 1Homo sapiens (human)Potency15.84890.100028.9256213.3130AID588591
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency56.23410.050127.073689.1251AID588590
urokinase-type plasminogen activator precursorMus musculus (house mouse)Potency5.62340.15855.287912.5893AID540303
plasminogen precursorMus musculus (house mouse)Potency5.62340.15855.287912.5893AID540303
urokinase plasminogen activator surface receptor precursorMus musculus (house mouse)Potency5.62340.15855.287912.5893AID540303
lethal(3)malignant brain tumor-like protein 1 isoform IHomo sapiens (human)Potency25.11890.075215.225339.8107AID485360
gemininHomo sapiens (human)Potency1.63600.004611.374133.4983AID624297
DNA polymerase kappa isoform 1Homo sapiens (human)Potency39.81070.031622.3146100.0000AID588579
[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)
alkaline phosphatase, tissue-nonspecific isozyme isoform 1 preproproteinHomo sapiens (human)IC50 (µMol)20.70000.125016.260374.8000AID1056
rac GTPase-activating protein 1 isoform aHomo sapiens (human)IC50 (µMol)79.46007.390057.8904301.2400AID624330
alkaline phosphatase, germ cell type preproproteinHomo sapiens (human)IC50 (µMol)6.62000.110011.386267.2000AID1512
Protein tyrosine phosphatase type IVA 3Homo sapiens (human)IC50 (µMol)43.80000.30001.90003.5000AID315116
M-phase inducer phosphatase 1Homo sapiens (human)IC50 (µMol)3.28000.02204.20249.4000AID362942
M-phase inducer phosphatase 2Homo sapiens (human)IC50 (µMol)4.67000.10002.31039.5100AID362943
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (25)

Processvia Protein(s)Taxonomy
endothelial cell migrationProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
regulation of DNA-templated transcriptionProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
Notch signaling pathwayProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
positive regulation of vascular permeabilityProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
regulation of vascular endothelial growth factor signaling pathwayProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
positive regulation of non-canonical NF-kappaB signal transductionProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
positive regulation of establishment of protein localizationProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
cellular response to leukemia inhibitory factorProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
endothelial cell migrationProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
regulation of cyclin-dependent protein serine/threonine kinase activityM-phase inducer phosphatase 1Homo sapiens (human)
G1/S transition of mitotic cell cycleM-phase inducer phosphatase 1Homo sapiens (human)
G2/M transition of mitotic cell cycleM-phase inducer phosphatase 1Homo sapiens (human)
cell population proliferationM-phase inducer phosphatase 1Homo sapiens (human)
response to radiationM-phase inducer phosphatase 1Homo sapiens (human)
positive regulation of G2/M transition of mitotic cell cycleM-phase inducer phosphatase 1Homo sapiens (human)
cellular response to UVM-phase inducer phosphatase 1Homo sapiens (human)
positive regulation of DNA replicationM-phase inducer phosphatase 1Homo sapiens (human)
cell divisionM-phase inducer phosphatase 1Homo sapiens (human)
positive regulation of G2/MI transition of meiotic cell cycleM-phase inducer phosphatase 1Homo sapiens (human)
G2/M transition of mitotic cell cycleM-phase inducer phosphatase 2Homo sapiens (human)
mitotic cell cycleM-phase inducer phosphatase 2Homo sapiens (human)
oocyte maturationM-phase inducer phosphatase 2Homo sapiens (human)
protein phosphorylationM-phase inducer phosphatase 2Homo sapiens (human)
female meiosis IM-phase inducer phosphatase 2Homo sapiens (human)
positive regulation of cell population proliferationM-phase inducer phosphatase 2Homo sapiens (human)
positive regulation of G2/M transition of mitotic cell cycleM-phase inducer phosphatase 2Homo sapiens (human)
positive regulation of cytokinesisM-phase inducer phosphatase 2Homo sapiens (human)
positive regulation of mitotic cell cycleM-phase inducer phosphatase 2Homo sapiens (human)
cell divisionM-phase inducer phosphatase 2Homo sapiens (human)
positive regulation of G2/MI transition of meiotic cell cycleM-phase inducer phosphatase 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (6)

Processvia Protein(s)Taxonomy
prenylated protein tyrosine phosphatase activityProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
protein bindingProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
protein tyrosine phosphatase activityProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
phosphoprotein phosphatase activityM-phase inducer phosphatase 1Homo sapiens (human)
protein tyrosine phosphatase activityM-phase inducer phosphatase 1Homo sapiens (human)
protein bindingM-phase inducer phosphatase 1Homo sapiens (human)
protein kinase bindingM-phase inducer phosphatase 1Homo sapiens (human)
protein-folding chaperone bindingM-phase inducer phosphatase 1Homo sapiens (human)
phosphoprotein phosphatase activityM-phase inducer phosphatase 2Homo sapiens (human)
protein tyrosine phosphatase activityM-phase inducer phosphatase 2Homo sapiens (human)
protein bindingM-phase inducer phosphatase 2Homo sapiens (human)
protein kinase bindingM-phase inducer phosphatase 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (8)

Processvia Protein(s)Taxonomy
nucleusProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
cytoplasmProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
early endosomeProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
plasma membraneProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
nucleusProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
cytoplasmProtein tyrosine phosphatase type IVA 3Homo sapiens (human)
nucleoplasmM-phase inducer phosphatase 1Homo sapiens (human)
cytosolM-phase inducer phosphatase 1Homo sapiens (human)
nucleusM-phase inducer phosphatase 1Homo sapiens (human)
cytoplasmM-phase inducer phosphatase 1Homo sapiens (human)
spindle poleM-phase inducer phosphatase 2Homo sapiens (human)
nucleoplasmM-phase inducer phosphatase 2Homo sapiens (human)
centrosomeM-phase inducer phosphatase 2Homo sapiens (human)
cytosolM-phase inducer phosphatase 2Homo sapiens (human)
nucleusM-phase inducer phosphatase 2Homo sapiens (human)
cytoplasmM-phase inducer phosphatase 2Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (18)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID362941Inhibition of Cdc25B (378-566) expressed in Escherichia coli at 50 uM2008Journal of medicinal chemistry, Sep-25, Volume: 51, Issue:18
Discovery of novel Cdc25 phosphatase inhibitors with micromolar activity based on the structure-based virtual screening.
AID362943Inhibition of Cdc25B (378-566) expressed in Escherichia coli2008Journal of medicinal chemistry, Sep-25, Volume: 51, Issue:18
Discovery of novel Cdc25 phosphatase inhibitors with micromolar activity based on the structure-based virtual screening.
AID315116Inhibition of human PRL3 expressed in Escherichia coli BL21 (DE3)2008Bioorganic & medicinal chemistry letters, Apr-01, Volume: 18, Issue:7
Discovery of novel PRL-3 inhibitors based on the structure-based virtual screening.
AID362940Inhibition of Cdc25A (336-523) expressed in Escherichia coli at 50 uM2008Journal of medicinal chemistry, Sep-25, Volume: 51, Issue:18
Discovery of novel Cdc25 phosphatase inhibitors with micromolar activity based on the structure-based virtual screening.
AID362942Inhibition of Cdc25A (336-523) expressed in Escherichia coli2008Journal of medicinal chemistry, Sep-25, Volume: 51, Issue:18
Discovery of novel Cdc25 phosphatase inhibitors with micromolar activity based on the structure-based virtual screening.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's3 (42.86)29.6817
2010's3 (42.86)24.3611
2020's1 (14.29)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.28

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 Index12.28 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.28)

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
2-(2-hydroxyethylsulfanyl)-3-methyl-1,4-naphthoquinone
[no description available]		2.0410
pentamidine
Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.		2.0410aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
nsc 95397
[no description available]		2.04101,4-naphthoquinones
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