Brief Information of the Compound and Protein
Compound Name
 Compound Info 
6-{[(6-chloro-2-oxo-1,2-
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 PubChem ID
CID: 118956132
Canonical SMILES
Cc1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
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Compound Formula C17H13ClN4O
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 = 219 nM
   TI
   LI
   LO
   TS
2
IC50 = 3210 nM
   TI
   LI
   LO
   TS
CL000102 U-87MG ATCC
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 258 nM
   TI
   LI
   LO
   TS
2
IC50 = 274 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 72 nM
2 IC50 = 820 nM
3 IC50 = 75000 nM