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
Receptor tyrosine-protein kinase erbB-2
Protein Classification
Enzyme
>
Kinase
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Protein Kinase
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TK protein kinase group
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Tyrosine protein kinase EGFR family
Uniprot ID
P04626
Gene Name
ERBB2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000284 MDA-MB-453 Homo sapiens (Human)  1
1
IC50 = 9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5 nM
2 IC50 = 9 nM
3 IC50 = 19 nM
4 IC50 = 48 nM
5 IC50 = 80 nM
6 Kd = 8.4 nM
7 Kd = 56 nM
8 Kd = 87 nM