Brief Information of the Compound and Protein
Compound Name
N-[(3S)-1-[9-(2-hydroxyethyl)-6-[4-(4-methylpiperazin-1-yl)anilino]purin-2-yl]pyrrolidin-3-yl]prop-2-enamide
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PubChem ID
CID: 118073699
Canonical SMILES
CN1CCN(CC1)c1ccc(Nc2nc(nc3n(CCO)cnc23)N2CC[C@@H](C2)NC(=O)C=C)cc1
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Compound Formula C25H33N9O2
Compound Structure
Protein Name
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 Homo sapiens (Human)  1
1
IC50 = 4192 nM
   TI
   LI
   LO
   TS
CL000157 NCI-H1975 Homo sapiens (Human)  1
1
IC50 = 387 nM
   TI
   LI
   LO
   TS
CL000324 NCI-H3255 Homo sapiens (Human)  1
1
IC50 = 7 nM
   TI
   LI
   LO
   TS