Ferroptosis-centered Drug Response Information

General Information of the Drug (ID: ferrodrug0339)
Name
[4-[Bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
Synonyms
1360705-96-9; ML-210; [4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone; ML 210; (4-(bis(4-chlorophenyl)methyl)piperazin-1-yl)(5-methyl-4-nitroisoxazol-3-yl)methanone; ML210; CHEMBL1951048; CID 49766530; BRD7528; BRD-7528; TL_HRAS26; MLS003265661; SCHEMBL21965947; CHEBI:92034; HMS3874L03; BCP29439; EX-A3516; BDBM50547193; MFCD22666407; NCGC00386679-01; NCGC00386679-02; AC-36416; BM170835; BS-51618; SMR001941104; HY-100003; ML 210, >=98% (HPLC); CS-0017911; S0788; D83838; BRD-K01877528-001-01-6; BRD-K01877528-001-02-4; BRD-K01877528-001-03-2; BRD-K01877528-001-04-0; BRD-K01877528-001-07-3; BRD-K01877528-001-08-1; BRD-K01877528-001-09-9; BRD-K01877528-001-11-5; Q27163827; [4-[Bis(4-chlorophenyl)methyl]-1-piperazinyl](5-methyl-4-nitro-3-isoxazolyl)methanone; [4-[bis(4-chlorophenyl)methyl]-1-piperazinyl]-(5-methyl-4-nitro-3-isoxazolyl)methanone; CID 49766530; CID-49766530; CID49766530; ML-210; ML 210

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Structure
Formula
C22H20Cl2N4O4
IUPAC Name
[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-1,2-oxazol-3-yl)methanone
Canonical SMILES
CC1=C(C(=NO1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)[N+](=O)[O-]
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
PubChem CID
49766530
Full List of Ferroptosis Target Related to This Drug
Phospholipid hydroperoxide glutathione peroxidase (GPX4)
 Target Info 
In total 1 item(s) under this Target
Experiment 1 Reporting the Ferroptosis-centered Drug Act on This Target [1]
Target for Ferroptosis Suppressor
Responsed Disease Melanoma ICD-11: 2C30
 Disease Info 
Pathway Response Fatty acid metabolism hsa01212
Ferroptosis hsa04216
Cell Process Cell ferroptosis
In Vitro Model LOX-IMVI cells Melanoma Homo sapiens CVCL_1381
U2OS cells Osteosarcoma Homo sapiens CVCL_0042
HEK293-EBNA1-6E cells Normal Homo sapiens CVCL_HF20
CJM cells Melanoma Homo sapiens CVCL_U797
WM88 cells Melanoma Homo sapiens CVCL_6805
KP-4 cells Pancreatic carcinoma Homo sapiens CVCL_1338
HCC4006 cells Lung adenocarcinoma Homo sapiens CVCL_1269
HT-1080 cells Fibrosarcoma Homo sapiens CVCL_0317
A-498 cells Renal cell carcinoma Homo sapiens CVCL_1056
Caki-2 cells Papillary renal cell carcinoma Homo sapiens CVCL_0235
Panc02 cells Pancreatic ductal adenocarcinoma Mus musculus CVCL_D627
MC-38 cells Colon adenocarcinoma Homo sapiens CVCL_B288
Response regulation ML210 is a prodrug that is converted in cells into a nitrile-oxide electrophile that covalently inhibits GPX4 with remarkable proteome-wide selectivity in melanoma.
References
Ref 1 Selective covalent targeting of GPX4 using masked nitrile-oxide electrophiles. Nat Chem Biol. 2020 May;16(5):497-506. doi: 10.1038/s41589-020-0501-5. Epub 2020 Mar 30.