Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-(3-((4-chlorophenyl)ethynyl)benzyl)-3-isopropyl-1-(3-(pyridin-3-ylethynyl)benzyl)urea
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 PubChem ID
CID: 53326634
Canonical SMILES
CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccc(Cl)cc1)Cc1cccc(c1)C#Cc1cccnc1
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Compound Formula C33H28ClN3O
Compound Structure
Protein Name
 Protein Info 
Aldo-keto reductase family 1 member C3
Protein Classification
Enzyme
Uniprot ID
P42330
Gene Name
AKR1C3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 8600 nM
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