Brief Information of the Compound and Protein
Compound Name
(S)-2-((1-(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-4-methoxypyrimidine-5-carbonitrile
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PubChem ID
CID: 118953858
Canonical SMILES
COc1nc(N[C@@H](C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N
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Compound Formula C17H14ClN5O2
Compound Structure
Protein Name
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 Homo sapiens (Human)  2
1
IC50 = 45 nM
   TI
   LI
   LO
   TS
2
IC50 = 233 nM
   TI
   LI
   LO
   TS
CL000102 U-87MG ATCC Homo sapiens (Human)  5
1
IC50 = 18 nM
   TI
   LI
   LO
   TS
2
IC50 = 60 nM
   TI
   LI
   LO
   TS
3
IC50 = 120 nM
   TI
   LI
   LO
   TS
4
IC50 = 130 nM
   TI
   LI
   LO
   TS
5
IC50 = 1490 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18 nM
2 IC50 = 81.4 nM
3 IC50 = 130 nM
4 IC50 = 35000 nM