Brief Information of the Compound and Protein
Compound Name
4-(4-{3-[6-Methoxy-4-(3-trifluoromethyl-phenylamino)-quinazolin-7-yloxy]-propoxy}-phenyl)-[1,2]dithiole-3-thione
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Canonical SMILES
COc1cc2c(Nc3cccc(C(F)(F)F)c3)ncnc2cc1OCCCOc1ccc(-c2cssc2=S)cc1
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Compound Formula C28H22F3N3O3S3
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
CL000068 A-549 Homo sapiens (Human)  1
1
GI50 > 10000 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  3
1
GI50 = 380 nM
   TI
   LI
   LO
   TS
2
GI50 = 1648 nM
   TI
   LI
   LO
   TS
3
GI50 = 1980 nM
   TI
   LI
   LO
   TS
CL000324 NCI-H3255 Homo sapiens (Human)  1
1
GI50 = 7472 nM
   TI
   LI
   LO
   TS