Compounds > 3-(4-octadecyl)benzoylacrylic acid
Page last updated: 2024-11-11

3-(4-octadecyl)benzoylacrylic 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 CID5353842
CHEMBL ID1358284
CHEBI ID92834
SCHEMBL ID15536727
MeSH IDM0189516

Synonyms (31)

Synonym
BRD-K48029790-001-01-0
BRD-K85318537-001-02-7
BCBCMAP01_000119
BSPBIO_000984
IDI1_002087
NCGC00024680-02
NCGC00024680-03
HMS1990B05
HMS1362B05
HMS1792B05
(e)-4-(4-octadecylphenyl)-4-oxobut-2-enoic acid
AKOS015914337
obaa
134531-42-3
CCG-221396
CHEMBL1358284 ,
SCHEMBL15536727
221632-26-4
4-(4-octadecylphenyl)-4-oxobutenoic acid
HMS3403B05
SR-01000597619-1
sr-01000597619
CHEBI:92834
(2e)-4-(4-octadecylphenyl)-4-oxo-2-butenoic acid
DTXSID10874032
NCGC00024680-05
MS-27599
HY-101015A
CS-0179678
(2e)-obaa
bdbm50604040
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency31.62280.003245.467312,589.2998AID2517
Chain A, ATP-DEPENDENT DNA HELICASE Q1Homo sapiens (human)Potency31.62280.125919.1169125.8920AID2549
regulator of G-protein signaling 4Homo sapiens (human)Potency37.68580.531815.435837.6858AID504845
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency3.54810.354828.065989.1251AID504847
[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)
Phospholipase A2Homo sapiens (human)IC50 (µMol)0.04900.00300.91223.9000AID1904112
Cysteine protease ATG4BHomo sapiens (human)IC50 (µMol)12.00000.63003.06558.9000AID1904111
Cysteine protease ATG4BHomo sapiens (human)Ki4.60004.60004.60004.6000AID1904097
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (43)

Processvia Protein(s)Taxonomy
positive regulation of interleukin-8 productionPhospholipase A2Homo sapiens (human)
positive regulation of MAP kinase activityPhospholipase A2Homo sapiens (human)
innate immune response in mucosaPhospholipase A2Homo sapiens (human)
neutrophil mediated immunityPhospholipase A2Homo sapiens (human)
fatty acid biosynthetic processPhospholipase A2Homo sapiens (human)
actin filament organizationPhospholipase A2Homo sapiens (human)
signal transductionPhospholipase A2Homo sapiens (human)
positive regulation of cell population proliferationPhospholipase A2Homo sapiens (human)
positive regulation of calcium ion transport into cytosolPhospholipase A2Homo sapiens (human)
lipid catabolic processPhospholipase A2Homo sapiens (human)
leukotriene biosynthetic processPhospholipase A2Homo sapiens (human)
antibacterial humoral responsePhospholipase A2Homo sapiens (human)
neutrophil chemotaxisPhospholipase A2Homo sapiens (human)
activation of phospholipase A2 activityPhospholipase A2Homo sapiens (human)
cellular response to insulin stimulusPhospholipase A2Homo sapiens (human)
intracellular signal transductionPhospholipase A2Homo sapiens (human)
positive regulation of transcription by RNA polymerase IIPhospholipase A2Homo sapiens (human)
regulation of glucose importPhospholipase A2Homo sapiens (human)
phosphatidylcholine metabolic processPhospholipase A2Homo sapiens (human)
phosphatidylglycerol metabolic processPhospholipase A2Homo sapiens (human)
positive regulation of fibroblast proliferationPhospholipase A2Homo sapiens (human)
arachidonic acid secretionPhospholipase A2Homo sapiens (human)
positive regulation of protein secretionPhospholipase A2Homo sapiens (human)
positive regulation of immune responsePhospholipase A2Homo sapiens (human)
defense response to Gram-positive bacteriumPhospholipase A2Homo sapiens (human)
positive regulation of NF-kappaB transcription factor activityPhospholipase A2Homo sapiens (human)
antimicrobial humoral immune response mediated by antimicrobial peptidePhospholipase A2Homo sapiens (human)
positive regulation of podocyte apoptotic processPhospholipase A2Homo sapiens (human)
phospholipid metabolic processPhospholipase A2Homo sapiens (human)
protein delipidationCysteine protease ATG4BHomo sapiens (human)
autophagosome assemblyCysteine protease ATG4BHomo sapiens (human)
mitophagyCysteine protease ATG4BHomo sapiens (human)
proteolysisCysteine protease ATG4BHomo sapiens (human)
autophagyCysteine protease ATG4BHomo sapiens (human)
protein transportCysteine protease ATG4BHomo sapiens (human)
macroautophagyCysteine protease ATG4BHomo sapiens (human)
microautophagyCysteine protease ATG4BHomo sapiens (human)
otolith mineralization completed early in developmentCysteine protease ATG4BHomo sapiens (human)
protein localization to phagophore assembly siteCysteine protease ATG4BHomo sapiens (human)
protein delipidationCysteine protease ATG4BHomo sapiens (human)
protein processingCysteine protease ATG4BHomo sapiens (human)
piecemeal microautophagy of the nucleusCysteine protease ATG4BHomo sapiens (human)
aggrephagyCysteine protease ATG4BHomo sapiens (human)
C-terminal protein lipidationCysteine protease ATG4BHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (12)

Processvia Protein(s)Taxonomy
phospholipase A2 activityPhospholipase A2Homo sapiens (human)
signaling receptor bindingPhospholipase A2Homo sapiens (human)
calcium ion bindingPhospholipase A2Homo sapiens (human)
bile acid bindingPhospholipase A2Homo sapiens (human)
calcium-dependent phospholipase A2 activityPhospholipase A2Homo sapiens (human)
phospholipid bindingPhospholipase A2Homo sapiens (human)
endopeptidase activityCysteine protease ATG4BHomo sapiens (human)
cysteine-type endopeptidase activityCysteine protease ATG4BHomo sapiens (human)
protein bindingCysteine protease ATG4BHomo sapiens (human)
cysteine-type peptidase activityCysteine protease ATG4BHomo sapiens (human)
protein-phosphatidylethanolamide deconjugating activityCysteine protease ATG4BHomo sapiens (human)
scaffold protein bindingCysteine protease ATG4BHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (9)

Processvia Protein(s)Taxonomy
extracellular regionPhospholipase A2Homo sapiens (human)
extracellular spacePhospholipase A2Homo sapiens (human)
cell surfacePhospholipase A2Homo sapiens (human)
autophagosome membraneCysteine protease ATG4BHomo sapiens (human)
mitochondrionCysteine protease ATG4BHomo sapiens (human)
endoplasmic reticulumCysteine protease ATG4BHomo sapiens (human)
cytosolCysteine protease ATG4BHomo sapiens (human)
cytoplasmic vesicleCysteine protease ATG4BHomo sapiens (human)
cytoplasmCysteine protease ATG4BHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (20)

Assay IDTitleYearJournalArticle
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.
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.
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.
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.
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).
AID1904100Inhibition of AFM induced autophagy in human LNCaP cells assessed as suppression of autophagosome by DAP green staining based assay2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904094Reversible inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells at 100 uM using LC3-GST as substrate preincubated for 30 mins with 0.3 uM LC3-GST followed by dialysis and again incubated with 3 uM LC3-GST fo2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904096Inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells at 20 to 50 uM using LC3-GST as substrate by coomassie brilliant blue staining based assay2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904107Inhibition of abiraterone induced autophagy in human LNCaP cells at 10 uM preincubated for 2 hrs followed by abiraterone addition and measured after 24 hrs by DAP green staining based assay2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904097Inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells assessed as inhibition constant using LC3-GST as substrate incubated for 3 hrs by coomassie brilliant blue staining based assay2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904109Induction of apoptosis in human LNCaP cells assessed as increase in cleaved capase-9 expression at 10 uM preincubated for 2 hrs followed by abiraterone addition and measured after 24 hrs by Western blotting analysis2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904108Inhibition of enzalutamide induced autophagy in human LNCaP cells at 10 uM preincubated for 2 hrs followed by enzalutamide addition and measured after 24 hrs by DAP green staining based assay2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904099Inhibition of AFM induced autophagy in human LNCaP cells assessed as restoration of p62 expression at 5 uM by Western blot analysis2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904110Induction of apoptosis in human LNCaP cells assessed as increase in cleaved PARP expression at 10 uM preincubated for 2 hrs followed by abiraterone addition and measured after 24 hrs by Western blotting analysis2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904112Inhibition of PLA2 (unknown origin)2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904115Inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells at 100 uM using LC3-GST as substrate incubated for 3 hrs by coomassie brilliant blue staining based assay2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904113Selectivity ratio of IC50 for inhibition of PLA2 (unknown origin) to IC50 for inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904111Inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells using LC3-GST as substrate incubated for 3 hrs by coomassie brilliant blue staining based assay2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
AID1904095Inhibition of recombinant ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) pLysS cells at 10 uM using LC3-GST as substrate incubated for 3 hrs by coomassie brilliant blue staining based assay2022Journal of medicinal chemistry, 03-24, Volume: 65, Issue:6
Discovery and Structure-Based Optimization of Novel Atg4B Inhibitors for the Treatment of Castration-Resistant Prostate Cancer.
[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's0 (0.00)29.6817
2010's3 (42.86)24.3611
2020's4 (57.14)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.98

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 Index12.98 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index5.06 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.98)

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
chloroquine
Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.		2.4110aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
abiraterone
[no description available]		2.41103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
ly 311727
LY 311727: a potent & selective inhibitor of human non-pancreatic secretory phospholipase A2; structure given in first source		2.4110
benzoylacrylic acid
benzoylacrylic acid: structure in first source		2.4110
ConditionIndicatedRelationship StrengthStudiesTrials
Encephalitis, Polio
[description not available]		02.0610
Poliomyelitis
An acute infectious disease of humans, particularly children, caused by any of three serotypes of human poliovirus (POLIOVIRUS). Usually the infection is limited to the gastrointestinal tract and nasopharynx, and is often asymptomatic. The central nervous system, primarily the spinal cord, may be affected, leading to rapidly progressive paralysis, coarse FASCICULATION and hyporeflexia. Motor neurons are primarily affected. Encephalitis may also occur. The virus replicates in the nervous system, and may cause significant neuronal loss, most notably in the spinal cord. A rare related condition, nonpoliovirus poliomyelitis, may result from infections with nonpoliovirus enteroviruses. (From Adams et al., Principles of Neurology, 6th ed, pp764-5)		02.0610
Plasmodium falciparum Malaria
[description not available]		02.110
Malaria, Falciparum
Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations.		02.110
Congenital Zika Syndrome
[description not available]		02.2510
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.2510
Zika Virus Infection
A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.		02.2510
Androgen-Independent Prostatic Cancer
[description not available]		02.4110
Prostatic Neoplasms, Castration-Resistant
Tumors or cancer of the PROSTATE which can grow in the presence of low or residual amount of androgen hormones such as TESTOSTERONE.		02.4110