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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:ML-210
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Accession:CHEBI:176502 term browser browse the term
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.
Synonyms:exact_synonym: {4-[bis(4-chlorophenyl)methyl]piperazin-1-yl}(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
 related_synonym: DPI10;   Formula=C22H20Cl2N4O4;   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;   ML210;   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;   [4-[bis(4-chlorophenyl)methyl]-1-piperazinyl](5-methyl-4-nitro-3-isoxazolyl)-methanone
 alt_id: CHEBI:92034
 xref: CAS:1360705-96-9;   Chemspider:28495222;   LINCS:LSM-2013;   PMID:22297109;   PMID:22834036;   PMID:32080622;   PMID:32231343;   PMID:33741422;   Patent:US20200138829

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  CHEBI ontology 2
    role 2
      biological role 2
        biochemical role 2
          ferroptosis inducer 0
            ML-210 0
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Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              tertiary carboxamide 0
                                                ML-210 0
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