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CHEBI:176502 - ML-210

ChEBI IDCHEBI:176502
ChEBI NameML-210
Stars
DefinitionAn 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.
Secondary ChEBI IDCHEBI:92034
Last Modified11 June 2021
SubmitterAdnan
DownloadsMolfile
FormulaC22H20Cl2N4O4
Net Charge0
Average Mass475.332
Monoisotopic Mass474.08616
SMILESCc1onc(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C22H20Cl2N4O4/c1-14-20(28(30)31)19(25-32-14)22(29)27-12-10-26(11-13-27)21(15-2-6-17(23)7-3-15)16-4-8-18(24)9-5-16/h2-9,21H,10-13H2,1H3
InChIKeyVIBHJPDPEVVDTB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
ferroptosis inducer  Any 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) inhibitor  An inhibitor of peroxidases (EC 1.11.1.*) that inhibits the action of glutathione peroxidase (EC 1.11.1.9).
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ML-210 (CHEBI:176502) has role antineoplastic agent (CHEBI:35610)
ML-210 (CHEBI:176502) has role EC 1.11.1.9 (glutathione peroxidase) inhibitor (CHEBI:176342)
ML-210 (CHEBI:176502) has role ferroptosis inducer (CHEBI:173085)
ML-210 (CHEBI:176502) has role prodrug (CHEBI:50266)
ML-210 (CHEBI:176502) is a C-nitro compound (CHEBI:35716)
ML-210 (CHEBI:176502) is a N-acylpiperazine (CHEBI:46844)
ML-210 (CHEBI:176502) is a N-alkylpiperazine (CHEBI:46845)
ML-210 (CHEBI:176502) is a diarylmethane (CHEBI:51614)
ML-210 (CHEBI:176502) is a isoxazoles (CHEBI:55373)
ML-210 (CHEBI:176502) is a monochlorobenzenes (CHEBI:83403)
ML-210 (CHEBI:176502) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
{4-[bis(4-chlorophenyl)methyl]piperazin-1-yl}(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
Synonyms  Source
ML210ChEBI
ML 210ChEBI
[4-[bis(4-chlorophenyl)methyl]-1-piperazinyl](5-methyl-4-nitro-3-isoxazolyl)-methanoneChEBI
DPI10ChEBI
Manual XrefsDatabases
LSM-2013LINCS
28495222ChemSpider
US20200138829Patent
Registry NumbersSources
CAS:1360705-96-9ChEBI
Citations