Brief Information of the Compound and Protein
Compound Name
CERITINIB
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PubChem ID
CID: 57379345
SID: 136885241
Canonical SMILES
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
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Compound Formula C28H36ClN5O3S
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
CL000077 Ba/F3 Mus musculus (Mouse)  5
1
EC50 = 2500 nM
   TI
   LI
   LO
   TS
2
EC50 = 2660 nM
   TI
   LI
   LO
   TS
3
EC50 = 3000 nM
   TI
   LI
   LO
   TS
4
EC50 > 3000 nM
   TI
   LI
   LO
   TS
5
GI50 = 780.5 nM
   TI
   LI
   LO
   TS
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 900 nM
2 IC50 > 1000 nM