Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile
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 PubChem ID
CID: 134821685
Canonical SMILES
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1
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Compound Formula C27H28FN5O3S
Compound Structure
Protein Name
 Protein Info 
Aldehyde dehydrogenase 1A1
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
P00352
Gene Name
ALDH1A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000207 MIA PaCa-2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 30 nM
   TI
   LI
   LO
   TS
CL000849 OV-90
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 2000 nM
   TI
   LI
   LO
   TS
2
EC50 = 3400 nM
   TI
   LI
   LO
   TS
CL000848 SKOV3/TR
 Cell Line Info 
Homo sapiens (Human)  6
1
EC50 = 2720 nM
   TI
   LI
   LO
   TS
2
IC50 = 6.5 nM
   TI
   LI
   LO
   TS
3
IC50 = 9.2 nM
   TI
   LI
   LO
   TS
4
IC50 = 25.2 nM
   TI
   LI
   LO
   TS
5
IC50 = 226 nM
   TI
   LI
   LO
   TS
6
IC50 = 848 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7 nM
2 IC50 = 19.6 nM
3 Ki = 5.5 nM
4 Ki = 26.1 nM