Compounds > ML-210
Page last updated: 2024-11-13

ML-210

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

Description

ML-210 : An N-acylpiperazine that is piperazine substituted by 5-methyl-4-nitro-1,2-oxazole-3-carbonyl and bis(4-chlorophenyl)methyl groups at positions 1 and 4, respectively. It is a glutathione peroxidase 4 (GPX4) inhibitor which induces ferroptosis in cancer cells expressing the RAS oncogene. [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 CID49766530
CHEMBL ID1951048
CHEBI ID92034
SCHEMBL ID21965947

Synonyms (43)

Synonym
brd7528
BRD-K01877528-001-01-6
brd-7528
BRD-K01877528-001-02-4
BRD-K01877528-001-07-3
BRD-K01877528-001-09-9
BRD-K01877528-001-03-2
MLS003265661
tl_hras26
smr001941104
BRD-K01877528-001-04-0
BRD-K01877528-001-11-5
CHEMBL1951048 ,
BRD-K01877528-001-08-1
cid 49766530
(4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)(5-methyl-4-nitroisoxazol-3-yl)methanone ,
ml 210
1360705-96-9
CHEBI:92034
ml 210, >=98% (hplc)
NCGC00386679-01
AKOS030568049
ml-210
[4-[bis(4-chlorophenyl)methyl]-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone
Q27163827
SCHEMBL21965947
ml210
cid 49766530; cid-49766530; cid49766530; ml-210; ml 210
BCP29439
[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
[4-[bis(4-chlorophenyl)methyl]-1-piperazinyl](5-methyl-4-nitro-3-isoxazolyl)methanone
HMS3874L03
EX-A3516
mfcd22666407
HY-100003
CS-0017911
D83838
BS-51618
S0788
AC-36416
NCGC00386679-02
bdbm50547193
BM170835

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]

Roles (4)

RoleDescription
ferroptosis inducerAny substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
EC 1.11.1.9 (glutathione peroxidase) inhibitorAn inhibitor of peroxidases (EC 1.11.1.*) that inhibits the action of glutathione peroxidase (EC 1.11.1.9).
antineoplastic agentA substance that inhibits or prevents the proliferation of neoplasms.
prodrugA compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
[role 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]

Drug Classes (7)

ClassDescription
monochlorobenzenesAny member of the class of chlorobenzenes containing a mono- or poly-substituted benzene ring in which only one substituent is chlorine.
diarylmethaneAny compound containing two aryl groups connected by a single C atom.
N-acylpiperazine
N-alkylpiperazine
tertiary carboxamideA carboxamide resulting from the formal condensation of a carboxylic acid with a secondary amine; formula RC(=O)NHR(1)R(2).
isoxazolesOxazoles in which the N and O atoms are adjacent.
C-nitro compoundA nitro compound having the nitro group (-NO2) attached to a carbon atom.
[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 (7)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
GVesicular stomatitis virusPotency5.35470.01238.964839.8107AID1645842
Interferon betaHomo sapiens (human)Potency5.35470.00339.158239.8107AID1645842
HLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)Potency5.35470.01238.964839.8107AID1645842
Inositol hexakisphosphate kinase 1Homo sapiens (human)Potency5.35470.01238.964839.8107AID1645842
cytochrome P450 2C9, partialHomo sapiens (human)Potency5.35470.01238.964839.8107AID1645842
[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)
Phospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)EC50 (µMol)16.52200.02800.84242.2000AID1676456; AID1676457
[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)
HRAS, partialHomo sapiens (human)AC5023.04700.287011.663968.0100AID540314; AID540315; AID540316
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (56)

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)
chromatin organizationPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
phospholipid metabolic processPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
response to oxidative stressPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
spermatogenesisPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
arachidonic acid metabolic processPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
lipoxygenase pathwayPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
response to estradiolPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
long-chain fatty acid biosynthetic processPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
protein polymerizationPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
cellular oxidant detoxificationPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
negative regulation of ferroptosisPhospholipid hydroperoxide glutathione peroxidaseHomo 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 (22)

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)
glutathione peroxidase activityPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
protein bindingPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
selenium bindingPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
identical protein bindingPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
phospholipid-hydroperoxide glutathione peroxidase activityPhospholipid hydroperoxide glutathione peroxidaseHomo 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 (25)

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)
nucleusPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
nuclear envelopePhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
cytosolPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
extracellular exosomePhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
protein-containing complexPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
nucleusPhospholipid hydroperoxide glutathione peroxidaseHomo sapiens (human)
mitochondrionPhospholipid hydroperoxide glutathione peroxidaseHomo 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
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.
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.
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.
AID1887094Cytotoxicity against human HeLa cells assessed as reduction in cell viability incubated for 3 days by methylene blue staining based analysis2022Journal of medicinal chemistry, 09-08, Volume: 65, Issue:17
Tunable Cysteine-Targeting Electrophilic Heteroaromatic Warheads Induce Ferroptosis.
AID1887097Cytotoxicity against mouse MEF cells assessed as reduction in cell viability incubated for 3 days by methylene blue staining based analysis2022Journal of medicinal chemistry, 09-08, Volume: 65, Issue:17
Tunable Cysteine-Targeting Electrophilic Heteroaromatic Warheads Induce Ferroptosis.
AID1887092Cytotoxicity against human MDA-MB-468 cells assessed as reduction in cell viability incubated for 3 days by methylene blue staining based analysis2022Journal of medicinal chemistry, 09-08, Volume: 65, Issue:17
Tunable Cysteine-Targeting Electrophilic Heteroaromatic Warheads Induce Ferroptosis.
AID647254Selectivity ratio of IC50 for human BJeH cells to to IC50 for human BJeLR cells2012Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4
Development of small-molecule probes that selectively kill cells induced to express mutant RAS.
AID1676458Selectivity ratio of EC50 for Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell death measured as cell viability in presence of ferrostatin-1 to EC50 for Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-med2020Bioorganic & medicinal chemistry letters, 12-01, Volume: 30, Issue:23
Structure-activity relationships of GPX4 inhibitor warheads.
AID647251Cytotoxicity against human BJeH-LT cells after 48 hrs by alamar blue assay2012Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4
Development of small-molecule probes that selectively kill cells induced to express mutant RAS.
AID1887090Ratio of IC50 for cytotoxicity against human NCI-H522 cells in presence of ferroptosis inhibitor, liproxstatin-1 to IC50 for cytotoxicity against human NCI-H522 cells2022Journal of medicinal chemistry, 09-08, Volume: 65, Issue:17
Tunable Cysteine-Targeting Electrophilic Heteroaromatic Warheads Induce Ferroptosis.
AID1676457Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell death measured as cell viability in presence of ferrostatin-12020Bioorganic & medicinal chemistry letters, 12-01, Volume: 30, Issue:23
Structure-activity relationships of GPX4 inhibitor warheads.
AID647259Cytotoxicity against human BJ cells expressing HRAS G12V mutant with alternative oncogenic constructs after 48 hrs by alamar blue assay2012Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4
Development of small-molecule probes that selectively kill cells induced to express mutant RAS.
AID1887063Cytotoxicity against human HCT-116 cells assessed as reduction in cell viability incubated for 3 days by methylene blue staining based analysis2022Journal of medicinal chemistry, 09-08, Volume: 65, Issue:17
Tunable Cysteine-Targeting Electrophilic Heteroaromatic Warheads Induce Ferroptosis.
AID1676456Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell death measured as cell viability2020Bioorganic & medicinal chemistry letters, 12-01, Volume: 30, Issue:23
Structure-activity relationships of GPX4 inhibitor warheads.
AID1758133Antiproliferative activity against human MCF7 cells assessed as reduction in cell growth incubated for 48 hrs by CCK8 assay2021European journal of medicinal chemistry, May-05, Volume: 217Design, synthesis, and biological evaluation of nitroisoxazole-containing spiro[pyrrolidin-oxindole] derivatives as novel glutathione peroxidase 4/mouse double minute 2 dual inhibitors that inhibit breast adenocarcinoma cell proliferation.
AID1887089Cytotoxicity against human NCI-H522 cells assessed as reduction in cell viability incubated for 3 days in presence of ferroptosis inhibitor, liproxstatin-1 by methylene blue staining based analysis2022Journal of medicinal chemistry, 09-08, Volume: 65, Issue:17
Tunable Cysteine-Targeting Electrophilic Heteroaromatic Warheads Induce Ferroptosis.
AID647264Selectivity ratio of IC50 for human BJeH-LT cells to IC50 for human BJeLR cells2012Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4
Development of small-molecule probes that selectively kill cells induced to express mutant RAS.
AID1887096Cytotoxicity against human WI-38 cells assessed as reduction in cell viability incubated for 3 days by methylene blue staining based analysis2022Journal of medicinal chemistry, 09-08, Volume: 65, Issue:17
Tunable Cysteine-Targeting Electrophilic Heteroaromatic Warheads Induce Ferroptosis.
AID1887093Cytotoxicity against human MDA-MB-231 cells assessed as reduction in cell viability incubated for 3 days by methylene blue staining based analysis2022Journal of medicinal chemistry, 09-08, Volume: 65, Issue:17
Tunable Cysteine-Targeting Electrophilic Heteroaromatic Warheads Induce Ferroptosis.
AID1758135Selectivity index, ratio of IC50 for antiproliferative activity against human MCF7 cells in presence of Fer-1 to IC50 for antiproliferative activity against human MCF7 cells2021European journal of medicinal chemistry, May-05, Volume: 217Design, synthesis, and biological evaluation of nitroisoxazole-containing spiro[pyrrolidin-oxindole] derivatives as novel glutathione peroxidase 4/mouse double minute 2 dual inhibitors that inhibit breast adenocarcinoma cell proliferation.
AID1887091Cytotoxicity against human HT-1080 cells assessed as reduction in cell viability incubated for 3 days by methylene blue staining based analysis2022Journal of medicinal chemistry, 09-08, Volume: 65, Issue:17
Tunable Cysteine-Targeting Electrophilic Heteroaromatic Warheads Induce Ferroptosis.
AID647258Cytotoxicity against human BJeH cells after 48 hrs by alamar blue assay2012Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4
Development of small-molecule probes that selectively kill cells induced to express mutant RAS.
AID1887064Cytotoxicity against human NCI-H522 cells assessed as reduction in cell viability incubated for 3 days by methylene blue staining based analysis2022Journal of medicinal chemistry, 09-08, Volume: 65, Issue:17
Tunable Cysteine-Targeting Electrophilic Heteroaromatic Warheads Induce Ferroptosis.
AID647252Cytotoxicity against human BJeLR cells expressing HRAS G12V mutant after 48 hrs by alamar blue assay2012Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4
Development of small-molecule probes that selectively kill cells induced to express mutant RAS.
AID1887095Cytotoxicity against human U2OS cells assessed as reduction in cell viability incubated for 3 days by methylene blue staining based analysis2022Journal of medicinal chemistry, 09-08, Volume: 65, Issue:17
Tunable Cysteine-Targeting Electrophilic Heteroaromatic Warheads Induce Ferroptosis.
AID1758134Antiproliferative activity against human MCF7 cells assessed as reduction in cell growth incubated for 48 hrs in presence of Fer-1 by CCK8 assay2021European journal of medicinal chemistry, May-05, Volume: 217Design, synthesis, and biological evaluation of nitroisoxazole-containing spiro[pyrrolidin-oxindole] derivatives as novel glutathione peroxidase 4/mouse double minute 2 dual inhibitors that inhibit breast adenocarcinoma cell proliferation.
AID647255Selectivity ratio of IC50 for human BJeH cells to IC50 for human BJeLR cells2012Bioorganic & medicinal chemistry letters, Feb-15, Volume: 22, Issue:4
Development of small-molecule probes that selectively kill cells induced to express mutant RAS.
[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's2 (28.57)24.3611
2020's5 (71.43)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 65.35

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 very strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index65.35 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.64 (4.65)
Search Engine Demand Index103.27 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (65.35)

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
vorinostat
Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).		2.4110dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
benzothiazole
benzothiazole: structure. benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.		2.4110benzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic
benzoxazoles
1,3-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5.. benzoxazole : Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton.		2.41101,3-benzoxazoles;
mancude organic heterobicyclic parent
ethynylpyridine
ethynylpyridine: structure in first source		2.4110
lanperisone
lanperisone : A 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one in which the methyl group at position 2 adopts R-configuration. It is a muscle relaxant and induces ferroptosis in cancer cells.		2.07102-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-oneantineoplastic agent;
calcium channel blocker;
ferroptosis inducer;
muscle relaxant;
voltage-gated sodium channel blocker
nutlin 3
[no description available]		2.3110stilbenoid
2-chloro-N-heptyl-N-(3-methylphenyl)acetamide
[no description available]		2.2510anilide
N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
[no description available]		2.2510benzodioxoles
ML162
ML162 : A monochlorobenzene that is benzene substituted by (chloroacetyl){2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl}amino, chloro and methoxy groups at positions 1, 3 and 4, respectively. It is a covalent inhibitor of glutathione peroxidase 4 (GPX4) that induces ferroptosis in cells.		2.5320monochlorobenzenes;
monomethoxybenzene;
organochlorine compound;
secondary carboxamide;
tertiary carboxamide;
thiophenes		EC 1.11.1.9 (glutathione peroxidase) inhibitor;
ferroptosis inducer
2-(N-(2-chloro-1-oxoethyl)-3-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
[no description available]		2.0710organonitrogen compound;
organooxygen compound
2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
[no description available]		2.0710organonitrogen compound;
organooxygen compound
[4-(diphenylmethyl)-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone
[no description available]		2.0710diarylmethane
ConditionIndicatedRelationship StrengthStudiesTrials
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
Experimental Mammary Neoplasms
[description not available]		02.3110