CHEBI:176499 - ML162

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ML162
ChEBI ID CHEBI:176499
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:91657
Supplier Information
Download Molfile XML SDF
Formula C23H22Cl2N2O3S
Net Charge 0
Average Mass 477.400
Monoisotopic Mass 476.07282
InChI InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)
InChIKey UNVKYJSNMVDZJE-UHFFFAOYSA-N
SMILES COC1=C(Cl)C=C(C=C1)N(C(C(=O)NCCC1=CC=CC=C1)C1=CC=CS1)C(=O)CCl
Roles Classification
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ML162 (CHEBI:176499) has role EC 1.11.1.9 (glutathione peroxidase) inhibitor (CHEBI:176342)
ML162 (CHEBI:176499) has role ferroptosis inducer (CHEBI:173085)
ML162 (CHEBI:176499) is a monochlorobenzenes (CHEBI:83403)
ML162 (CHEBI:176499) is a monomethoxybenzene (CHEBI:25235)
ML162 (CHEBI:176499) is a organochlorine compound (CHEBI:36683)
ML162 (CHEBI:176499) is a secondary carboxamide (CHEBI:140325)
ML162 (CHEBI:176499) is a tertiary carboxamide (CHEBI:140326)
ML162 (CHEBI:176499) is a thiophenes (CHEBI:26961)
IUPAC Name
2-chloro-N-(3-chloro-4-methoxyphenyl)-N-{2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl}acetamide
Synonyms Sources
DPI7 ChEBI
ML 162 ChEBI
ML-162 ChEBI
Molecular Libraries 162 ChEBI
Manual Xrefs Databases
2921671 ChemSpider
LSM-1493 LINCS
View more database links
Registry Number Type Source
1035072-16-2 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
22297109 PubMed citation Europe PMC
22832321 PubMed citation Europe PMC
27048822 PubMed citation Europe PMC
30339884 PubMed citation Europe PMC
33559612 PubMed citation Europe PMC
Last Modified
10 June 2021