Compounds > 3,4,5-trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester

Page last updated: 2024-12-09

3,4,5-trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester

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Cross-References

ID Source	ID
PubMed CID	747951
CHEMBL ID	1529183
CHEBI ID	107419

Synonyms (15)

Synonym
HMS2582P20
MLS000678825 ,
smr000269882
2,6-dimethylbenzo-1,4-quinone 4-[o-(3,4,5-trimethoxybenzoyl)oxime]
CHEBI:107419
[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate
AKOS001636109
cid_747951
3,4,5-trimethoxybenzoic acid [(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)amino] ester
bdbm45553
[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate
3,4,5-trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester
CHEMBL1529183
Q27185730
(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino 3,4,5-trimethoxybenzoate

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

Class	Description
trihydroxybenzoic acid
[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 (16)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Beta-lactamase	Escherichia coli K-12	Potency	1.4125	0.0447	17.8581	100.0000	AID485294
Chain A, Putative fructose-1,6-bisphosphate aldolase	Giardia intestinalis	Potency	5.6101	0.1409	11.1940	39.8107	AID2451
Chain A, Cruzipain	Trypanosoma cruzi	Potency	3.3552	0.0020	14.6779	39.8107	AID1476; AID1478
glp-1 receptor, partial	Homo sapiens (human)	Potency	1.9953	0.0184	6.8060	14.1254	AID624417
ATAD5 protein, partial	Homo sapiens (human)	Potency	23.1093	0.0041	10.8903	31.5287	AID504467
TDP1 protein	Homo sapiens (human)	Potency	15.4706	0.0008	11.3822	44.6684	AID686978; AID686979
Microtubule-associated protein tau	Homo sapiens (human)	Potency	14.1254	0.1800	13.5574	39.8107	AID1460
huntingtin isoform 2	Homo sapiens (human)	Potency	35.4813	0.0006	18.4198	1,122.0200	AID1688
serine/threonine-protein kinase PLK1	Homo sapiens (human)	Potency	10.6213	0.1683	16.4040	67.0158	AID720504
geminin	Homo sapiens (human)	Potency	18.4782	0.0046	11.3741	33.4983	AID624296; AID624297
DNA dC->dU-editing enzyme APOBEC-3F isoform a	Homo sapiens (human)	Potency	22.3872	0.0259	11.2398	31.6228	AID602313
lamin isoform A-delta10	Homo sapiens (human)	Potency	35.4813	0.8913	12.0676	28.1838	AID1487
Guanine nucleotide-binding protein G	Homo sapiens (human)	Potency	11.2202	1.9953	25.5327	50.1187	AID624287
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Plasmodium berghei	IC50 (µMol)	55.0300	0.8890	21.0286	71.5000	AID504765; AID540252; AID540269
glucose-6-phosphate 1-dehydrogenase isoform b	Homo sapiens (human)	IC50 (µMol)	80.0000	8.8700	12.8518	17.8000	AID504792
Coagulation factor XII	Homo sapiens (human)	IC50 (µMol)	0.5329	0.0104	3.8890	10.9666	AID852
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (18)

Process	via Protein(s)	Taxonomy
plasma kallikrein-kinin cascade	Coagulation factor XII	Homo sapiens (human)
Factor XII activation	Coagulation factor XII	Homo sapiens (human)
blood coagulation, intrinsic pathway	Coagulation factor XII	Homo sapiens (human)
positive regulation of plasminogen activation	Coagulation factor XII	Homo sapiens (human)
protein processing	Coagulation factor XII	Homo sapiens (human)
protein autoprocessing	Coagulation factor XII	Homo sapiens (human)
positive regulation of blood coagulation	Coagulation factor XII	Homo sapiens (human)
zymogen activation	Coagulation factor XII	Homo sapiens (human)
fibrinolysis	Coagulation factor XII	Homo sapiens (human)
innate immune response	Coagulation factor XII	Homo sapiens (human)
response to misfolded protein	Coagulation factor XII	Homo sapiens (human)
positive regulation of fibrinolysis	Coagulation factor XII	Homo sapiens (human)
blood coagulation	Coagulation factor XII	Homo sapiens (human)
negative regulation of inflammatory response to antigenic stimulus	Guanine nucleotide-binding protein G	Homo sapiens (human)
renal water homeostasis	Guanine nucleotide-binding protein G	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Guanine nucleotide-binding protein G	Homo sapiens (human)
regulation of insulin secretion	Guanine nucleotide-binding protein G	Homo sapiens (human)
cellular response to glucagon stimulus	Guanine nucleotide-binding protein G	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (6)

Process	via Protein(s)	Taxonomy
serine-type endopeptidase activity	Coagulation factor XII	Homo sapiens (human)
calcium ion binding	Coagulation factor XII	Homo sapiens (human)
protein binding	Coagulation factor XII	Homo sapiens (human)
misfolded protein binding	Coagulation factor XII	Homo sapiens (human)
G protein activity	Guanine nucleotide-binding protein G	Homo sapiens (human)
adenylate cyclase activator activity	Guanine nucleotide-binding protein G	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (6)

Process	via Protein(s)	Taxonomy
extracellular region	Coagulation factor XII	Homo sapiens (human)
extracellular space	Coagulation factor XII	Homo sapiens (human)
plasma membrane	Coagulation factor XII	Homo sapiens (human)
collagen-containing extracellular matrix	Coagulation factor XII	Homo sapiens (human)
extracellular exosome	Coagulation factor XII	Homo sapiens (human)
extracellular space	Coagulation factor XII	Homo sapiens (human)
rough endoplasmic reticulum	Coagulation factor XII	Homo sapiens (human)
plasma membrane	Guanine nucleotide-binding protein G	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (15)

Assay ID	Title	Year	Journal	Article
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. 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.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. 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.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. 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.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	1 (14.29)	29.6817
2010's	4 (57.14)	24.3611
2020's	2 (28.57)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.22

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.

Metric	This Compound (vs All)
Research Demand Index	12.22 (24.57)
Research Supply Index	2.08 (2.92)
Research Growth Index	4.30 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (12.22)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	7 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Condition	Indicated	Relationship Strength	Studies	Trials
Innate Inflammatory Response [description not available]	0	2.05	1	0
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.	0	2.05	1	0
Plasmodium falciparum Malaria [description not available]	0	2.1	1	0
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.	0	2.1	1	0