Page last updated: 2024-11-13

(1S,2R)-2-[[(1S)-1-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-1-cyclohexanecarboxylic acid

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

Description

You've described a complex organic molecule with a rather long and technical name. Let's break it down to understand its significance in research:

**Structure and Components:**

* **(1S,2R)-:** This designates the stereochemistry of the molecule. S and R are the configurations at two chiral centers (carbon atoms with four different substituents).
* **2-[[(1S)-1-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]-:** This part describes a complex ring system with multiple functional groups:
* **(1,3-dioxo-2-isoindolyl)methyl:** This indicates a phthalimide group attached to a methylene (CH2) bridge. Phthalimides are known for their use in organic synthesis.
* **3,4-dihydro-1H-isoquinolin-2-yl:** This refers to a partially saturated isoquinoline ring. Isoquinolines are heterocyclic aromatic compounds.
* **1-cyclohexanecarboxylic acid:** This is a cyclohexane ring with a carboxylic acid group attached to it. Cyclohexane is a common ring structure in organic chemistry.

**Overall, the molecule you've described contains:**

* A cyclohexane ring
* A phthalimide group
* An isoquinoline ring
* A carboxylic acid group
* Specific stereochemistry

**Research Importance:**

The exact importance of this molecule in research depends on the specific context. However, based on its structure, it could be relevant in several areas:

* **Drug Discovery:** The presence of different functional groups and a defined stereochemistry suggests this molecule could be a potential drug candidate or a synthetic intermediate for drug development. The isoquinoline and phthalimide moieties are known for their pharmacological activity.
* **Organic Synthesis:** The molecule may serve as a building block or a reactant in developing new synthetic methods or complex organic compounds.
* **Materials Science:** The ring structures and functional groups could contribute to the molecule's properties, potentially leading to applications in materials science, such as polymer synthesis or the development of novel materials.

**To understand the precise research significance, we need more information:**

* **Who is researching this molecule?** Research groups and their publications are crucial for understanding the context.
* **What is the specific research goal?** Is it drug discovery, synthetic methodology development, or materials science?
* **What are the molecule's properties?** Its pharmacological activity, solubility, reactivity, and stability would provide valuable insights.

**In conclusion:** This molecule is a complex organic compound with potential applications in diverse research areas. To determine its specific research significance, we need further context and information about its properties and the research goals associated with it.

LH601A: inhibits the interaction between KEAP1 and NRF2; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID56840728
CHEMBL ID2381968
CHEBI ID125341
SCHEMBL ID14933923

Synonyms (31)

Synonym
CHEBI:125341
chembl2381968 ,
bdbm50109398
BRD-K98948170-001-02-8
ml334
1vv ,
(1s,2r)-2-{[(1s)-1-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1h)-yl]carbonyl}cyclohexanecarboxylic acid
BRD-K98948170-001-06-9
BRD-K98948170-001-05-1
BRD-K98948170-001-08-5
BRD-K98948170-001-07-7
MLS004683641
smr003455734
BRD-K98948170-001-11-9
SCHEMBL14933923
Q27215693
(1s,2r)-2-[[(1s)-1-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydro-1h-isoquinolin-2-yl]-oxomethyl]-1-cyclohexanecarboxylic acid
4L7B
(1s,2r)-2-((s)-1-((1,3-dioxoisoindolin-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)cyclohexanecarboxylic acid
1432500-66-7
(1s,2r)-2-[[(1s)-1-[(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)methyl]-3,4-dihydro-2(1h)-isoquinolinyl]carbonyl]cyclohexanecarboxylic acid
lh601a
ml 334
AKOS027470233
NCGC00386934-01
(1s,2r)-2-[[(1s)-1-[(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)methyl]-3,4-dihydro-2(1h)-isoquinolinyl]carbonyl]cyclohexanecarboxylicacid
HY-110258
CS-0033123
MS-28068
(1s,2r)-2-[(1s)-1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1h-isoquinoline-2-carbonyl]cyclohexane-1-carboxylic acid
keap1-nrf2 interaction probe, ml334

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019
)
0.51
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
phthalimidesA dicarboximide that is phthalimide or derivatives obtained from it by the formal replacement of one or more hydrogens.
[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 (10)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency26.83700.01237.983543.2770AID1645841
GVesicular stomatitis virusPotency18.99910.01238.964839.8107AID1645842
Interferon betaHomo sapiens (human)Potency18.99910.00339.158239.8107AID1645842
HLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)Potency18.99910.01238.964839.8107AID1645842
Inositol hexakisphosphate kinase 1Homo sapiens (human)Potency18.99910.01238.964839.8107AID1645842
cytochrome P450 2C9, partialHomo sapiens (human)Potency18.99910.01238.964839.8107AID1645842
[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)
Kelch-like ECH-associated protein 1Homo sapiens (human)IC50 (µMol)1.79800.79201.79803.0000AID1239358; AID1354589; AID1506526; AID1655400
Kelch-like ECH-associated protein 1Homo sapiens (human)Ki0.56000.56000.56000.5600AID1577815
Nuclear factor erythroid 2-related factor 2Homo sapiens (human)IC50 (µMol)2.65000.02921.77643.0000AID1239358; AID1354589
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Kelch-like ECH-associated protein 1Homo sapiens (human)EC50 (µMol)14.57500.87002.76005.1100AID1248054; AID1577808; AID746544; AID746545
Kelch-like ECH-associated protein 1Homo sapiens (human)Kd1.76671.00001.76672.4000AID1577810; AID1659349; AID746546
Nuclear factor erythroid 2-related factor 2Homo sapiens (human)EC50 (µMol)10.76670.06002.61679.9000AID1248054; AID746544; AID746545
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)AbsAC40_uM13.18509.470013.185016.9000AID651833
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)AC502.49671.67009.266943.4100AID651798; AID651801; AID651806
kelch-like ECH-associated protein 1Homo sapiens (human)AbsAC40_uM13.18509.470013.185016.9000AID651833
kelch-like ECH-associated protein 1Homo sapiens (human)AC502.49671.67009.266943.4100AID651798; AID651801; AID651806
kelch-like ECH-associated protein 1Homo sapiens (human)Max_Delta_Tm_Conc_uM19.500019.500019.500019.5000AID651829
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (97)

Processvia Protein(s)Taxonomy
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell activation involved in immune responseInterferon betaHomo sapiens (human)
cell surface receptor signaling pathwayInterferon betaHomo sapiens (human)
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to virusInterferon betaHomo sapiens (human)
positive regulation of autophagyInterferon betaHomo sapiens (human)
cytokine-mediated signaling pathwayInterferon betaHomo sapiens (human)
natural killer cell activationInterferon betaHomo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT proteinInterferon betaHomo sapiens (human)
cellular response to interferon-betaInterferon betaHomo sapiens (human)
B cell proliferationInterferon betaHomo sapiens (human)
negative regulation of viral genome replicationInterferon betaHomo sapiens (human)
innate immune responseInterferon betaHomo sapiens (human)
positive regulation of innate immune responseInterferon betaHomo sapiens (human)
regulation of MHC class I biosynthetic processInterferon betaHomo sapiens (human)
negative regulation of T cell differentiationInterferon betaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIInterferon betaHomo sapiens (human)
defense response to virusInterferon betaHomo sapiens (human)
type I interferon-mediated signaling pathwayInterferon betaHomo sapiens (human)
neuron cellular homeostasisInterferon betaHomo sapiens (human)
cellular response to exogenous dsRNAInterferon betaHomo sapiens (human)
cellular response to virusInterferon betaHomo sapiens (human)
negative regulation of Lewy body formationInterferon betaHomo sapiens (human)
negative regulation of T-helper 2 cell cytokine productionInterferon betaHomo sapiens (human)
positive regulation of apoptotic signaling pathwayInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell differentiationInterferon betaHomo sapiens (human)
natural killer cell activation involved in immune responseInterferon betaHomo sapiens (human)
adaptive immune responseInterferon betaHomo sapiens (human)
T cell activation involved in immune responseInterferon betaHomo sapiens (human)
humoral immune responseInterferon betaHomo sapiens (human)
positive regulation of T cell mediated cytotoxicityHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
adaptive immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independentHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of T cell anergyHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
defense responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
detection of bacteriumHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of interleukin-12 productionHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of interleukin-6 productionHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protection from natural killer cell mediated cytotoxicityHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
innate immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of dendritic cell differentiationHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class IbHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
in utero embryonic developmentKelch-like ECH-associated protein 1Homo sapiens (human)
ubiquitin-dependent protein catabolic processKelch-like ECH-associated protein 1Homo sapiens (human)
regulation of autophagyKelch-like ECH-associated protein 1Homo sapiens (human)
protein ubiquitinationKelch-like ECH-associated protein 1Homo sapiens (human)
positive regulation of proteasomal ubiquitin-dependent protein catabolic processKelch-like ECH-associated protein 1Homo sapiens (human)
cellular response to oxidative stressKelch-like ECH-associated protein 1Homo sapiens (human)
negative regulation of DNA-binding transcription factor activityKelch-like ECH-associated protein 1Homo sapiens (human)
regulation of epidermal cell differentiationKelch-like ECH-associated protein 1Homo sapiens (human)
cellular response to interleukin-4Kelch-like ECH-associated protein 1Homo sapiens (human)
negative regulation of response to oxidative stressKelch-like ECH-associated protein 1Homo sapiens (human)
response to ischemiaNuclear factor erythroid 2-related factor 2Homo sapiens (human)
regulation of transcription by RNA polymerase IINuclear factor erythroid 2-related factor 2Homo sapiens (human)
inflammatory responseNuclear factor erythroid 2-related factor 2Homo sapiens (human)
response to oxidative stressNuclear factor erythroid 2-related factor 2Homo sapiens (human)
proteasomal ubiquitin-independent protein catabolic processNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of gene expressionNuclear factor erythroid 2-related factor 2Homo sapiens (human)
negative regulation of cardiac muscle cell apoptotic processNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of neuron projection developmentNuclear factor erythroid 2-related factor 2Homo sapiens (human)
protein ubiquitinationNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of blood coagulationNuclear factor erythroid 2-related factor 2Homo sapiens (human)
endoplasmic reticulum unfolded protein responseNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cellular response to oxidative stressNuclear factor erythroid 2-related factor 2Homo sapiens (human)
PERK-mediated unfolded protein responseNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cellular response to glucose starvationNuclear factor erythroid 2-related factor 2Homo sapiens (human)
proteasome-mediated ubiquitin-dependent protein catabolic processNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of blood vessel endothelial cell migrationNuclear factor erythroid 2-related factor 2Homo sapiens (human)
regulation of innate immune responseNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cell redox homeostasisNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of angiogenesisNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of DNA-templated transcriptionNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of transcription by RNA polymerase IINuclear factor erythroid 2-related factor 2Homo sapiens (human)
regulation of embryonic developmentNuclear factor erythroid 2-related factor 2Homo sapiens (human)
aflatoxin catabolic processNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of glucose importNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cellular response to hydrogen peroxideNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cellular response to copper ionNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cellular response to tumor necrosis factorNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cellular response to hypoxiaNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cellular response to xenobiotic stimulusNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cellular response to fluid shear stressNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cellular response to laminar fluid shear stressNuclear factor erythroid 2-related factor 2Homo sapiens (human)
negative regulation of ferroptosisNuclear factor erythroid 2-related factor 2Homo sapiens (human)
integrated stress response signalingNuclear factor erythroid 2-related factor 2Homo sapiens (human)
negative regulation of cellular response to hypoxiaNuclear factor erythroid 2-related factor 2Homo sapiens (human)
regulation of cellular response to oxidative stressNuclear factor erythroid 2-related factor 2Homo sapiens (human)
negative regulation of hematopoietic stem cell differentiationNuclear factor erythroid 2-related factor 2Homo sapiens (human)
negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathwayNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of glutathione biosynthetic processNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of ERAD pathwayNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cellular response to angiotensinNuclear factor erythroid 2-related factor 2Homo sapiens (human)
negative regulation of vascular associated smooth muscle cell migrationNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of ubiquitin-dependent protein catabolic processNuclear factor erythroid 2-related factor 2Homo sapiens (human)
regulation of removal of superoxide radicalsNuclear factor erythroid 2-related factor 2Homo sapiens (human)
negative regulation of endothelial cell apoptotic processNuclear factor erythroid 2-related factor 2Homo sapiens (human)
positive regulation of reactive oxygen species metabolic processNuclear factor erythroid 2-related factor 2Homo sapiens (human)
inositol phosphate metabolic processInositol hexakisphosphate kinase 1Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic processInositol hexakisphosphate kinase 1Homo sapiens (human)
negative regulation of cold-induced thermogenesisInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol phosphate biosynthetic processInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (34)

Processvia Protein(s)Taxonomy
cytokine activityInterferon betaHomo sapiens (human)
cytokine receptor bindingInterferon betaHomo sapiens (human)
type I interferon receptor bindingInterferon betaHomo sapiens (human)
protein bindingInterferon betaHomo sapiens (human)
chloramphenicol O-acetyltransferase activityInterferon betaHomo sapiens (human)
TAP bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
signaling receptor bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protein bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
peptide antigen bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
TAP bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protein-folding chaperone bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protein bindingKelch-like ECH-associated protein 1Homo sapiens (human)
identical protein bindingKelch-like ECH-associated protein 1Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingKelch-like ECH-associated protein 1Homo sapiens (human)
disordered domain specific bindingKelch-like ECH-associated protein 1Homo sapiens (human)
ubiquitin-like ligase-substrate adaptor activityKelch-like ECH-associated protein 1Homo sapiens (human)
transcription factor bindingKelch-like ECH-associated protein 1Homo sapiens (human)
transcription cis-regulatory region bindingNuclear factor erythroid 2-related factor 2Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificNuclear factor erythroid 2-related factor 2Homo sapiens (human)
transcription coregulator bindingNuclear factor erythroid 2-related factor 2Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificNuclear factor erythroid 2-related factor 2Homo sapiens (human)
DNA bindingNuclear factor erythroid 2-related factor 2Homo sapiens (human)
DNA-binding transcription factor activityNuclear factor erythroid 2-related factor 2Homo sapiens (human)
protein bindingNuclear factor erythroid 2-related factor 2Homo sapiens (human)
protein domain specific bindingNuclear factor erythroid 2-related factor 2Homo sapiens (human)
ubiquitin protein ligase bindingNuclear factor erythroid 2-related factor 2Homo sapiens (human)
sequence-specific DNA bindingNuclear factor erythroid 2-related factor 2Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingNuclear factor erythroid 2-related factor 2Homo sapiens (human)
molecular condensate scaffold activityNuclear factor erythroid 2-related factor 2Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingNuclear factor erythroid 2-related factor 2Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol heptakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 5-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
protein bindingInositol hexakisphosphate kinase 1Homo sapiens (human)
ATP bindingInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 1-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 3-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (33)

Processvia Protein(s)Taxonomy
extracellular spaceInterferon betaHomo sapiens (human)
extracellular regionInterferon betaHomo sapiens (human)
Golgi membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
endoplasmic reticulumHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
Golgi apparatusHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
plasma membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
cell surfaceHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
ER to Golgi transport vesicle membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
secretory granule membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
phagocytic vesicle membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
early endosome membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
recycling endosome membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
extracellular exosomeHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
lumenal side of endoplasmic reticulum membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
MHC class I protein complexHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
extracellular spaceHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
external side of plasma membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
nucleoplasmKelch-like ECH-associated protein 1Homo sapiens (human)
cytoplasmKelch-like ECH-associated protein 1Homo sapiens (human)
endoplasmic reticulumKelch-like ECH-associated protein 1Homo sapiens (human)
cytosolKelch-like ECH-associated protein 1Homo sapiens (human)
actin filamentKelch-like ECH-associated protein 1Homo sapiens (human)
inclusion bodyKelch-like ECH-associated protein 1Homo sapiens (human)
midbodyKelch-like ECH-associated protein 1Homo sapiens (human)
centriolar satelliteKelch-like ECH-associated protein 1Homo sapiens (human)
Cul3-RING ubiquitin ligase complexKelch-like ECH-associated protein 1Homo sapiens (human)
mediator complexNuclear factor erythroid 2-related factor 2Homo sapiens (human)
non-membrane-bounded organelleNuclear factor erythroid 2-related factor 2Homo sapiens (human)
nucleusNuclear factor erythroid 2-related factor 2Homo sapiens (human)
nucleoplasmNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cytoplasmNuclear factor erythroid 2-related factor 2Homo sapiens (human)
Golgi apparatusNuclear factor erythroid 2-related factor 2Homo sapiens (human)
centrosomeNuclear factor erythroid 2-related factor 2Homo sapiens (human)
cytosolNuclear factor erythroid 2-related factor 2Homo sapiens (human)
plasma membraneNuclear factor erythroid 2-related factor 2Homo sapiens (human)
RNA polymerase II transcription regulator complexNuclear factor erythroid 2-related factor 2Homo sapiens (human)
chromatinNuclear factor erythroid 2-related factor 2Homo sapiens (human)
protein-DNA complexNuclear factor erythroid 2-related factor 2Homo sapiens (human)
nucleusNuclear factor erythroid 2-related factor 2Homo sapiens (human)
fibrillar centerInositol hexakisphosphate kinase 1Homo sapiens (human)
nucleoplasmInositol hexakisphosphate kinase 1Homo sapiens (human)
cytosolInositol hexakisphosphate kinase 1Homo sapiens (human)
nucleusInositol hexakisphosphate kinase 1Homo sapiens (human)
cytoplasmInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (29)

Assay IDTitleYearJournalArticle
AID1354593Efflux ratio of apparent permeability in MDCK-MDR1 cells at 10 uM up to 120 mins2018Journal of medicinal chemistry, 09-27, Volume: 61, Issue:18
Non-covalent Small-Molecule Kelch-like ECH-Associated Protein 1-Nuclear Factor Erythroid 2-Related Factor 2 (Keap1-Nrf2) Inhibitors and Their Potential for Targeting Central Nervous System Diseases.
AID1506526Inhibition of fluorescent labelled Nrf2 peptide ligand binding to human Keap1 (321 to 609 residues) expressed in Escherichia coli BL21 DE3 pLysS incubated for 1 hr by fluorescence polarisation assay2017MedChemComm, Feb-01, Volume: 8, Issue:2
Small molecules inhibiting Keap1-Nrf2 protein-protein interactions: a novel approach to activate Nrf2 function.
AID1577808Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as thermal stabilization by sypro orange dye based thermal shift assay2019Journal of medicinal chemistry, 09-12, Volume: 62, Issue:17
A Comparative Assessment Study of Known Small-Molecule Keap1-Nrf2 Protein-Protein Interaction Inhibitors: Chemical Synthesis, Binding Properties, and Cellular Activity.
AID1239358Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction by fluorescence polarization assay2015Journal of medicinal chemistry, Aug-27, Volume: 58, Issue:16
Structure-Activity and Structure-Property Relationship and Exploratory in Vivo Evaluation of the Nanomolar Keap1-Nrf2 Protein-Protein Interaction Inhibitor.
AID746546Binding affinity to Keap1 kelch domain (unknown origin) by competitive SPR assay2013Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10
Discovery of a small-molecule inhibitor and cellular probe of Keap1-Nrf2 protein-protein interaction.
AID746541Stability in phosphate buffer after 24 hrs2013Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10
Discovery of a small-molecule inhibitor and cellular probe of Keap1-Nrf2 protein-protein interaction.
AID1659349Binding affinity to KEAP1 interaction with Nrf2 (unknown origin) by SRP assay2020Journal of medicinal chemistry, 08-13, Volume: 63, Issue:15
Medicinal Chemistry of Inhibiting RING-Type E3 Ubiquitin Ligases.
AID1354598Ratio of unbound drug level in Mdr1a/1b/Bcrp knock-out mouse brain to plasma2018Journal of medicinal chemistry, 09-27, Volume: 61, Issue:18
Non-covalent Small-Molecule Kelch-like ECH-Associated Protein 1-Nuclear Factor Erythroid 2-Related Factor 2 (Keap1-Nrf2) Inhibitors and Their Potential for Targeting Central Nervous System Diseases.
AID1577815Inhibition of Cys5-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measured after 10 to 15 mins by fluorescence polarization assay2019Journal of medicinal chemistry, 09-12, Volume: 62, Issue:17
A Comparative Assessment Study of Known Small-Molecule Keap1-Nrf2 Protein-Protein Interaction Inhibitors: Chemical Synthesis, Binding Properties, and Cellular Activity.
AID746545Inhibition of Keap1-Nrf2 interaction in human HepG2 cells expressing ARE-bla assessed as activation of antioxidant response element by beta-lactamase reporter assay2013Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10
Discovery of a small-molecule inhibitor and cellular probe of Keap1-Nrf2 protein-protein interaction.
AID1354589Inhibition of Keap1 kelch domain (unknow origin)/Nrf2-ETGE peptide (unknown origin) interaction by fluorescence polarization assay2018Journal of medicinal chemistry, 09-27, Volume: 61, Issue:18
Non-covalent Small-Molecule Kelch-like ECH-Associated Protein 1-Nuclear Factor Erythroid 2-Related Factor 2 (Keap1-Nrf2) Inhibitors and Their Potential for Targeting Central Nervous System Diseases.
AID746542Metabolic stability of the compound assessed as thiol group addition after 48 hrs in presence of glutathione2013Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10
Discovery of a small-molecule inhibitor and cellular probe of Keap1-Nrf2 protein-protein interaction.
AID1577849Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as change in melting temperature by sypro orange dye based thermal shift assay2019Journal of medicinal chemistry, 09-12, Volume: 62, Issue:17
A Comparative Assessment Study of Known Small-Molecule Keap1-Nrf2 Protein-Protein Interaction Inhibitors: Chemical Synthesis, Binding Properties, and Cellular Activity.
AID1577839Redox cycling activity of the compound assessed as H2O2 production measured after 15 mins in presence of TCEP by phenol red reagent based horseradish peroxidase coupled assay2019Journal of medicinal chemistry, 09-12, Volume: 62, Issue:17
A Comparative Assessment Study of Known Small-Molecule Keap1-Nrf2 Protein-Protein Interaction Inhibitors: Chemical Synthesis, Binding Properties, and Cellular Activity.
AID746540Metabolic stability of the compound assessed as thiol group decomposition after 48 hrs in presence of glutathione2013Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10
Discovery of a small-molecule inhibitor and cellular probe of Keap1-Nrf2 protein-protein interaction.
AID1655400Displacement of AF647-9-mer ETGE peptide from recombinant human biotinylated KEAP1 Kelch domain (322 to 609 residues) expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins followed by AF647-9-mer ETGE peptide addition and measured after 60 min2020ACS medicinal chemistry letters, May-14, Volume: 11, Issue:5
Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
AID746543Solubility of the compound in phosphate buffer2013Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10
Discovery of a small-molecule inhibitor and cellular probe of Keap1-Nrf2 protein-protein interaction.
AID1577810Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance analysis2019Journal of medicinal chemistry, 09-12, Volume: 62, Issue:17
A Comparative Assessment Study of Known Small-Molecule Keap1-Nrf2 Protein-Protein Interaction Inhibitors: Chemical Synthesis, Binding Properties, and Cellular Activity.
AID1577841Inhibition of Cys5-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measured after 10 to 15 mins in presence of 0.01% Triton X-100 by fluorescence polarization assay2019Journal of medicinal chemistry, 09-12, Volume: 62, Issue:17
A Comparative Assessment Study of Known Small-Molecule Keap1-Nrf2 Protein-Protein Interaction Inhibitors: Chemical Synthesis, Binding Properties, and Cellular Activity.
AID1354594Ratio of unbound drug level in mouse brain to plasma2018Journal of medicinal chemistry, 09-27, Volume: 61, Issue:18
Non-covalent Small-Molecule Kelch-like ECH-Associated Protein 1-Nuclear Factor Erythroid 2-Related Factor 2 (Keap1-Nrf2) Inhibitors and Their Potential for Targeting Central Nervous System Diseases.
AID1577814Binding affinity to Keap1 in mouse Hepa1c1c7 cells assessed as reduction in Keap1 interaction by measuring induction of NQO1 activity measured after 24 hrs2019Journal of medicinal chemistry, 09-12, Volume: 62, Issue:17
A Comparative Assessment Study of Known Small-Molecule Keap1-Nrf2 Protein-Protein Interaction Inhibitors: Chemical Synthesis, Binding Properties, and Cellular Activity.
AID746544Inhibition of Keap1-Nrf2 interaction in human U2OS cells assessed as Nrf2 nuclear translocation by beta-lactamase reporter assay2013Bioorganic & medicinal chemistry letters, May-15, Volume: 23, Issue:10
Discovery of a small-molecule inhibitor and cellular probe of Keap1-Nrf2 protein-protein interaction.
AID1248054Inhibition of Keap1 (unknown origin) interaction to Nrf22015Journal of medicinal chemistry, Sep-24, Volume: 58, Issue:18
Design, Synthesis, and Evaluation of Triazole Derivatives That Induce Nrf2 Dependent Gene Products and Inhibit the Keap1-Nrf2 Protein-Protein Interaction.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings 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.
AID1347160Primary screen NINDS Rhodamine 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.
AID977608Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB2014ChemMedChem, Apr, Volume: 9, Issue:4
Binding mode and structure-activity relationships around direct inhibitors of the Nrf2-Keap1 complex.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (13)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's9 (69.23)24.3611
2020's4 (30.77)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 11.87

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 Index11.87 (24.57)
Research Supply Index2.64 (2.92)
Research Growth Index4.51 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (11.87)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews2 (15.38%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other11 (84.62%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]