Brief Information of the Compound and Protein
Compound Name
cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
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PubChem ID
CID: 142581563
Canonical SMILES
O=C(C1CC1)N1CCN(CC1)C(=O)c1cnc2ccccc2c1N1CCC2(CC1)OCCO2
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Compound Formula C25H30N4O4
Compound Structure
Protein Name
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 Homo sapiens (Human)  1
1
IC50 = 9760 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 68 nM