Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-[(3aS,6aR)-2-[6-[(1-methylpyrazol-4-yl)amino]-9-propan-2-ylpurin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]prop-2-en-1-one
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 PubChem ID
CID: 118073609
Canonical SMILES
CC(C)n1cnc2c(Nc3cnn(C)c3)nc(nc12)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)C=C
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Compound Formula C21H27N9O
Compound Structure
Protein Name
 Protein Info 
Epidermal growth factor receptor
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase EGFR family
Uniprot ID
P00533
Gene Name
EGFR
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 = 805 nM
   TI
   LI
   LO
   TS
CL000157 NCI-H1975
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 49 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 85 nM