Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-{[(6-chloro-2-oxo-1,2-
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 PubChem ID
CID: 118955625
Canonical SMILES
COc1cc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
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Compound Formula C18H14ClN3O2
Compound Structure
Protein Name
 Protein Info 
Isocitrate dehydrogenase [NADP] cytoplasmic
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
O75874
Gene Name
IDH1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 266 nM
   TI
   LI
   LO
   TS
2
IC50 = 1920 nM
   TI
   LI
   LO
   TS
CL000102 U-87MG ATCC
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 316 nM
   TI
   LI
   LO
   TS
2
IC50 = 1250 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 127 nM
2 IC50 = 2250 nM
3 IC50 = 100000 nM