Brief Information of the Compound and Protein
Compound Name
 Compound Info 
propyl (2R)-4-[2-[4-(1-aminocyclopropyl)phenyl]-4-chloroquinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate
    Show/Hide
 PubChem ID
CID: 138911344
Canonical SMILES
CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccc(cc1)C1(N)CC1
    Show/Hide
Compound Formula C28H31ClN4O3
Compound Structure
Protein Name
 Protein Info 
Histone-lysine N-methyltransferase SMYD3
Protein Classification
Epigenetic regulator
>
Writer
>
Protein methyltransferase
>
SET domain
Uniprot ID
Q9H7B4
Gene Name
SMYD3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2
 Cell Line Info 
Homo sapiens (Human)  2
1
GI50 = 1040 nM
   TI
   LI
   LO
   TS
2
GI50 = 17690 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11.7 nM
2 Ki = 440 nM