Page last updated: 2024-12-05

3,4-dichlorobenzoic acid

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

3,4-dichlorobenzoic acid: structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

3,4-dichlorobenzoic acid : A chlorobenzoic acid carrying chloro substituents at positions 3 and 4. [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]

Cross-References

ID SourceID
PubMed CID5817
CHEMBL ID21015
CHEBI ID49401
SCHEMBL ID371998
MeSH IDM0188032

Synonyms (54)

Synonym
BB 0221129
nsc34414
nsc-34414
nsc17583
nsc-17583
51-44-5
3,4-dichlorobenzoic acid
wln: qvr cg dg
benzoic acid, 3,4-dichloro-
inchi=1/c7h4cl2o2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3h,(h,10,11
benzoic acid,3,4-dichloro
NCGC00091648-01
ai3-04213
nsc 17583
einecs 200-099-2
brn 2044777
benzoic acid,4-dichloro-
34z ,
3,4-dichlorobenzoic acid, 99%
AC-2437
D0340
3,4-dichloro-benzoic acid
chebi:49401 ,
CHEMBL21015 ,
AKOS000119790
NCGC00091648-02
ys4zr9bxwx ,
unii-ys4zr9bxwx
dtxsid9024980 ,
cas-51-44-5
tox21_200322
NCGC00257876-01
dtxcid604980
AE-562/43459830
STL168893
FT-0614231
AM20050124
SCHEMBL371998
3,4-dichlorobenzoicacid
W-105891
350818-53-0
F2191-0070
mfcd00002492
3,4-dichlorobenzoic acid, pestanal(r), analytical standard
3,4-dichlorobezoic acid
SY001131
Q27121626
AS-13091
CS-W015855
AC7846
bdbm50461950
EN300-19516
Z104474098
3,4-dichloro 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
chlorobenzoic acidAny member of the class of benzoic acids in which the benzene ring is substituted by at least one chloro 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 (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
AR proteinHomo sapiens (human)Potency61.13060.000221.22318,912.5098AID743042
thyroid stimulating hormone receptorHomo sapiens (human)Potency12.58930.001318.074339.8107AID926; AID938
glucocorticoid receptor [Homo sapiens]Homo sapiens (human)Potency30.84670.000214.376460.0339AID588532; AID720692
estrogen nuclear receptor alphaHomo sapiens (human)Potency27.73880.000229.305416,493.5996AID743069; AID743078
vitamin D (1,25- dihydroxyvitamin D3) receptorHomo sapiens (human)Potency44.66840.023723.228263.5986AID588543
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 (p105), isoform CRA_aHomo sapiens (human)Potency9.777219.739145.978464.9432AID1159509
[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)
Casein kinase II subunit betaHomo sapiens (human)IC50 (µMol)5,000.00000.00031.487510.0000AID1392845
Casein kinase II subunit alphaHomo sapiens (human)IC50 (µMol)5,000.00000.00051.333210.0000AID1392845
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (33)

Processvia Protein(s)Taxonomy
signal transductionCasein kinase II subunit betaHomo sapiens (human)
negative regulation of cell population proliferationCasein kinase II subunit betaHomo sapiens (human)
Wnt signaling pathwayCasein kinase II subunit betaHomo sapiens (human)
peptidyl-threonine phosphorylationCasein kinase II subunit betaHomo sapiens (human)
negative regulation of proteasomal ubiquitin-dependent protein catabolic processCasein kinase II subunit betaHomo sapiens (human)
positive regulation of activin receptor signaling pathwayCasein kinase II subunit betaHomo sapiens (human)
adiponectin-activated signaling pathwayCasein kinase II subunit betaHomo sapiens (human)
negative regulation of blood vessel endothelial cell migrationCasein kinase II subunit betaHomo sapiens (human)
regulation of DNA bindingCasein kinase II subunit betaHomo sapiens (human)
positive regulation of SMAD protein signal transductionCasein kinase II subunit betaHomo sapiens (human)
endothelial tube morphogenesisCasein kinase II subunit betaHomo sapiens (human)
protein-containing complex assemblyCasein kinase II subunit betaHomo sapiens (human)
symbiont-mediated disruption of host cell PML bodyCasein kinase II subunit betaHomo sapiens (human)
negative regulation of viral life cycleCasein kinase II subunit betaHomo sapiens (human)
double-strand break repairCasein kinase II subunit alphaHomo sapiens (human)
protein phosphorylationCasein kinase II subunit alphaHomo sapiens (human)
apoptotic processCasein kinase II subunit alphaHomo sapiens (human)
DNA damage responseCasein kinase II subunit alphaHomo sapiens (human)
signal transductionCasein kinase II subunit alphaHomo sapiens (human)
positive regulation of cell population proliferationCasein kinase II subunit alphaHomo sapiens (human)
Wnt signaling pathwayCasein kinase II subunit alphaHomo sapiens (human)
negative regulation of translationCasein kinase II subunit alphaHomo sapiens (human)
peptidyl-serine phosphorylationCasein kinase II subunit alphaHomo sapiens (human)
peptidyl-threonine phosphorylationCasein kinase II subunit alphaHomo sapiens (human)
positive regulation of Wnt signaling pathwayCasein kinase II subunit alphaHomo sapiens (human)
positive regulation of cell growthCasein kinase II subunit alphaHomo sapiens (human)
negative regulation of proteasomal ubiquitin-dependent protein catabolic processCasein kinase II subunit alphaHomo sapiens (human)
negative regulation of cysteine-type endopeptidase activity involved in apoptotic processCasein kinase II subunit alphaHomo sapiens (human)
positive regulation of protein catabolic processCasein kinase II subunit alphaHomo sapiens (human)
rhythmic processCasein kinase II subunit alphaHomo sapiens (human)
protein stabilizationCasein kinase II subunit alphaHomo sapiens (human)
chaperone-mediated protein foldingCasein kinase II subunit alphaHomo sapiens (human)
symbiont-mediated disruption of host cell PML bodyCasein kinase II subunit alphaHomo sapiens (human)
positive regulation of aggrephagyCasein kinase II subunit alphaHomo sapiens (human)
regulation of chromosome separationCasein kinase II subunit alphaHomo sapiens (human)
negative regulation of double-strand break repair via homologous recombinationCasein kinase II subunit alphaHomo sapiens (human)
negative regulation of apoptotic signaling pathwayCasein kinase II subunit alphaHomo sapiens (human)
regulation of cell cycleCasein kinase II subunit alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (14)

Processvia Protein(s)Taxonomy
protein serine/threonine kinase activityCasein kinase II subunit betaHomo sapiens (human)
chromatin bindingCasein kinase II subunit betaHomo sapiens (human)
protein serine/threonine kinase activityCasein kinase II subunit betaHomo sapiens (human)
signaling receptor bindingCasein kinase II subunit betaHomo sapiens (human)
protein bindingCasein kinase II subunit betaHomo sapiens (human)
protein kinase regulator activityCasein kinase II subunit betaHomo sapiens (human)
protein domain specific bindingCasein kinase II subunit betaHomo sapiens (human)
protein-macromolecule adaptor activityCasein kinase II subunit betaHomo sapiens (human)
identical protein bindingCasein kinase II subunit betaHomo sapiens (human)
metal ion bindingCasein kinase II subunit betaHomo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingCasein kinase II subunit betaHomo sapiens (human)
protein serine/threonine kinase activityCasein kinase II subunit alphaHomo sapiens (human)
protein bindingCasein kinase II subunit alphaHomo sapiens (human)
ATP bindingCasein kinase II subunit alphaHomo sapiens (human)
kinase activityCasein kinase II subunit alphaHomo sapiens (human)
identical protein bindingCasein kinase II subunit alphaHomo sapiens (human)
Hsp90 protein bindingCasein kinase II subunit alphaHomo sapiens (human)
protein serine kinase activityCasein kinase II subunit alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (14)

Processvia Protein(s)Taxonomy
plasma membraneCasein kinase II subunit betaHomo sapiens (human)
PcG protein complexCasein kinase II subunit betaHomo sapiens (human)
PML bodyCasein kinase II subunit betaHomo sapiens (human)
extracellular regionCasein kinase II subunit betaHomo sapiens (human)
nucleusCasein kinase II subunit betaHomo sapiens (human)
nucleoplasmCasein kinase II subunit betaHomo sapiens (human)
cytoplasmCasein kinase II subunit betaHomo sapiens (human)
cytosolCasein kinase II subunit betaHomo sapiens (human)
protein kinase CK2 complexCasein kinase II subunit betaHomo sapiens (human)
secretory granule lumenCasein kinase II subunit betaHomo sapiens (human)
extracellular exosomeCasein kinase II subunit betaHomo sapiens (human)
ficolin-1-rich granule lumenCasein kinase II subunit betaHomo sapiens (human)
chromatinCasein kinase II subunit betaHomo sapiens (human)
cytoplasmCasein kinase II subunit betaHomo sapiens (human)
PcG protein complexCasein kinase II subunit alphaHomo sapiens (human)
PML bodyCasein kinase II subunit alphaHomo sapiens (human)
nucleusCasein kinase II subunit alphaHomo sapiens (human)
nucleoplasmCasein kinase II subunit alphaHomo sapiens (human)
cytosolCasein kinase II subunit alphaHomo sapiens (human)
plasma membraneCasein kinase II subunit alphaHomo sapiens (human)
protein kinase CK2 complexCasein kinase II subunit alphaHomo sapiens (human)
Sin3-type complexCasein kinase II subunit alphaHomo sapiens (human)
cytosolCasein kinase II subunit alphaHomo sapiens (human)
nucleusCasein kinase II subunit alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (12)

Assay IDTitleYearJournalArticle
AID1145605Octanol-water partition coefficient, log P of the compound1977Journal of medicinal chemistry, Jan, Volume: 20, Issue:1
Use of distribution coefficients in quantitative structure-activity relationships.
AID1145616Increase in membrane potential in mollusc neurons assessed as conductance of potassium at pH 7.8 relative to salicylic acid1977Journal of medicinal chemistry, Jan, Volume: 20, Issue:1
Use of distribution coefficients in quantitative structure-activity relationships.
AID28691log LD50 was determined1992Journal of medicinal chemistry, Sep-04, Volume: 35, Issue:18
Energy aspects of oil/water partition leading to the novel hydrophobic parameters for the analysis of quantitative structure-activity relationships.
AID1392845Inhibition of CK2alpha (unknown origin) (2 to 329 residues) expressed in Escherichia coli BL21 (DE3) interaction with CK2beta (unknown origin) using fluorescein tagged RLYGFKIHPMAYQLQ probe after 10 mins by fluorescence polarization assay2018Bioorganic & medicinal chemistry, 07-15, Volume: 26, Issue:11
Novel non-ATP competitive small molecules targeting the CK2 α/β interface.
AID1819261Binding affinity to Pseudomonas aeruginosa MurB assessed as change in melting temperature at 5 mM by differential scanning fluorimetry2022Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3
Discovery of Novel Inhibitors of Uridine Diphosphate-
AID1819260Binding affinity to Pseudomonas aeruginosa MurB assessed as change in melting temperature at 1 mM by differential scanning fluorimetry2022Journal of medicinal chemistry, 02-10, Volume: 65, Issue:3
Discovery of Novel Inhibitors of Uridine Diphosphate-
AID1145607Octanol-aqueous phase distribution coefficient, log D of the compound1977Journal of medicinal chemistry, Jan, Volume: 20, Issue:1
Use of distribution coefficients in quantitative structure-activity relationships.
AID1145615Dissociation constant, pKa of the compound at pH 7.81977Journal of medicinal chemistry, Jan, Volume: 20, Issue:1
Use of distribution coefficients in quantitative structure-activity relationships.
AID125426Compound was tested for toxicity, calculated from isotoxic concentrations of substituted benzoic acids for 50% mortality of mosquito1983Journal of medicinal chemistry, Sep, Volume: 26, Issue:9
Ion-sensitive electrode potentiometry of organic anions: application to quantitative structure-activity relationships.
AID28731Partition coefficient (logD2.0)1992Journal of medicinal chemistry, Sep-04, Volume: 35, Issue:18
Energy aspects of oil/water partition leading to the novel hydrophobic parameters for the analysis of quantitative structure-activity relationships.
AID28497log (1/C') was determined1992Journal of medicinal chemistry, Sep-04, Volume: 35, Issue:18
Energy aspects of oil/water partition leading to the novel hydrophobic parameters for the analysis of quantitative structure-activity relationships.
AID1145614Dissociation constant, pKa of the compound1977Journal of medicinal chemistry, Jan, Volume: 20, Issue:1
Use of distribution coefficients in quantitative structure-activity relationships.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (9)

TimeframeStudies, This Drug (%)All Drugs %
pre-19902 (22.22)18.7374
1990's2 (22.22)18.2507
2000's1 (11.11)29.6817
2010's3 (33.33)24.3611
2020's1 (11.11)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 25.57

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 moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index25.57 (24.57)
Research Supply Index2.30 (2.92)
Research Growth Index4.54 (4.65)
Search Engine Demand Index26.67 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (25.57)

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%
Other9 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]