CHEBI:176502 - ML-210

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ChEBI Name ML-210
ChEBI ID CHEBI:176502
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:92034
Supplier Information
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Formula C22H20Cl2N4O4
Net Charge 0
Average Mass 475.330
Monoisotopic Mass 474.08616
InChI InChI=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
InChIKey VIBHJPDPEVVDTB-UHFFFAOYSA-N
SMILES CC1=C(C(=NO1)C(=O)N1CCN(CC1)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1)[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
[4-[bis(4-chlorophenyl)methyl]-1-piperazinyl](5-methyl-4-nitro-3-isoxazolyl)-methanone ChEBI
DPI10 ChEBI
ML 210 ChEBI
ML210 ChEBI
Manual Xrefs Databases
28495222 ChemSpider
LSM-2013 LINCS
US20200138829 Patent
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Registry Number Type Source
1360705-96-9 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
22297109 PubMed citation Europe PMC
22834036 PubMed citation Europe PMC
32080622 PubMed citation Europe PMC
32231343 PubMed citation Europe PMC
33741422 PubMed citation Europe PMC
Last Modified
11 June 2021