Brief Information of the Compound and Protein
Compound Name
(3S,4R)-1-[4-[[8-(azetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3-fluoro-3-methylpiperidin-4-ol
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Canonical SMILES
CC(C)c1cnc(N2CCC2)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12
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Compound Formula C24H30FN7O
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 = 8668 nM
   TI
   LI
   LO
   TS
CL000157 NCI-H1975 Homo sapiens (Human)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 2.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 10000 nM
   TI
   LI
   LO
   TS