Brief Information of the Compound and Protein
Compound Name
N-[5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]prop-2-enamide
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Canonical SMILES
CN(C)CCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
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Compound Formula C31H30ClN7O3
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
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 862 nM
   TI
   LI
   LO
   TS
CL000157 NCI-H1975 Homo sapiens (Human)  1
1
IC50 = 807 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  3
1
IC50 = 0.09 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.1 nM
   TI
   LI
   LO
   TS
3
IC50 = 2 nM
   TI
   LI
   LO
   TS