Brief Information of the Compound and Protein
Compound Name
 Compound Info 
17-(methylamino)-8,11,14-trioxa-1,16,19,22-tetrazatetracyclo[13.5.2.13,7.018,21]tricosa-3(23),4,6,15,17,21-hexaen-20-one
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 PubChem ID
CID: 118704899
Canonical SMILES
CNc1nc2OCCOCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3
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Compound Formula C17H19N5O4
Compound Structure
Protein Name
 Protein Info 
Oxidized purine nucleoside triphosphate hydrolase
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
P36639
Gene Name
NUDT1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000002 K-562
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.5 nM
2 Kd = 0.4 nM