Brief Information of the Compound and Protein
Compound Name
N-[3-[4-[4-[(1,3-dioxoisoindol-2-yl)methyl]anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
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Canonical SMILES
C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)c12
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Compound Formula C30H22N6O3
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 = 1570 nM
   TI
   LI
   LO
   TS
CL000157 NCI-H1975 Homo sapiens (Human)  1
1
IC50 = 2664 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  3
1
IC50 = 0.2 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.4 nM
   TI
   LI
   LO
   TS
3
IC50 = 33 nM
   TI
   LI
   LO
   TS