Brief Information of the Compound and Protein
Compound Name
N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
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PubChem ID
CID: 156414
SID: 14883693
Canonical SMILES
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
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Compound Formula C24H25ClFN5O3
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 = 7.4 nM
   TI
   LI
   LO
   TS
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 6 nM
   TI
   LI
   LO
   TS
CL000157 NCI-H1975 Homo sapiens (Human)  1
1
IC50 = 3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.8 nM
2 IC50 = 1.5 nM
3 IC50 = 2 nM
4 IC50 = 2.3 nM
5 IC50 = 5 nM
6 IC50 = 7.4 nM
7 IC50 = 15 nM
8 IC50 = 74 nM
9 Kd = 0.1 nM
10 Kd = 0.13 nM
11 Kd = 0.17 nM
12 Kd = 0.19 nM
13 Kd = 0.22 nM
14 Kd = 0.24 nM
15 Kd = 0.26 nM
16 Kd = 0.28 nM
17 Kd = 1.4 nM