Ferroptosis-centered Drug Response Information

General Information of the Drug (ID: ferrodrug0351)
Name
MI463
Synonyms
MI-463; 1628317-18-9; 4-methyl-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile; CHEMBL3780895; MI463; 4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile; SCHEMBL16092792; DZACSLYTXLZAAF-UHFFFAOYSA-N; BCP23982; EX-A1849; BDBM50455859; s7816; CCG-269582; CS-6219; AC-36210; BS-15946; HY-19809; A857526; 4-Methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indole-2-carbonitrile; 4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H

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Structure
Formula
C24H23F3N6S
IUPAC Name
4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile
Canonical SMILES
CC1=C(C=CC2=C1C=C(N2)C#N)CN3CCC(CC3)NC4=C5C=C(SC5=NC=N4)CC(F)(F)F
InChI
InChI=1S/C24H23F3N6S/c1-14-15(2-3-21-19(14)8-17(11-28)31-21)12-33-6-4-16(5-7-33)32-22-20-9-18(10-24(25,26)27)34-23(20)30-13-29-22/h2-3,8-9,13,16,31H,4-7,10,12H2,1H3,(H,29,30,32)
InChIKey
DZACSLYTXLZAAF-UHFFFAOYSA-N
PubChem CID
90455046
Full List of Ferroptosis Target Related to This Drug
Stearoyl-CoA desaturase (SCD)
 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 Ovarian cancer ICD-11: 2C73
 Disease Info 
Pathway Response Fatty acid metabolism hsa01212
Ferroptosis hsa04216
Cell Process Cell ferroptosis
Cell proliferation
In Vitro Model OVCAR-8 cells High grade ovarian serous adenocarcinoma Homo sapiens CVCL_1629
OVCAR-3 cells Ovarian serous adenocarcinoma Homo sapiens CVCL_0465
OVCAR-4 cells Ovarian adenocarcinoma Homo sapiens CVCL_1627
A-549 cells Lung adenocarcinoma Homo sapiens CVCL_0023
Lu-99 cells Lung giant cell carcinoma Homo sapiens CVCL_3015
Lu-65 cells Lung giant cell carcinoma Homo sapiens CVCL_1392
PC-7 cells Lung adenocarcinoma Homo sapiens CVCL_A786
BT-549 cells Invasive breast carcinoma Homo sapiens CVCL_1092
MDA-MB-468 cells Breast adenocarcinoma Homo sapiens CVCL_0419
MDA-MB-231 cells Breast adenocarcinoma Homo sapiens CVCL_0062
MCF-7 cells Breast carcinoma Homo sapiens CVCL_0031
T-47D cells Invasive breast carcinoma Homo sapiens CVCL_0553
MIA PaCa-2 cells Pancreatic ductal adenocarcinoma Homo sapiens CVCL_0428
PANC-1 cells Pancreatic ductal adenocarcinoma Homo sapiens CVCL_0480
BxPC-3 cells Pancreatic ductal adenocarcinoma Homo sapiens CVCL_0186
CFPAC-1 cells Pancreatic ductal adenocarcinoma Homo sapiens CVCL_1119
Response regulation The MI463 induced decrease in cell viability may be at least partly associated with the inhibition of SCD1 activity. In addition, the potent induction of HO1 contributed to the synergistic effects of MI463 plus auranofin. Therefore, meninMLL inhibitors, such as MI463, in combination with auranofin represent an effective therapeutic approach for several types of cancer via the induction of ferroptosis in High grade ovarian serous adenocarcinoma.
References
Ref 1 MeninMLL inhibitors induce ferroptosis and enhance the antiproliferative activity of auranofin in several types of cancer cells. Int J Oncol. 2020 Oct;57(4):1057-1071. doi: 10.3892/ijo.2020.5116. Epub 2020 Aug 28.