Brief Information of the Compound and Protein
Compound Name
3-[4-(3-bromoanilino)-6-methoxyquinazolin-7-yl]oxypropyl 3-(prop-2-enyldisulfanyl)propanoate
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Canonical SMILES
COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCOC(=O)CCSSCC=C
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Compound Formula C24H26BrN3O4S2
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 = 6703 nM
   TI
   LI
   LO
   TS
CL000068 A-549 Homo sapiens (Human)  1
1
GI50 > 10000 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  4
1
GI50 = 6.9 nM
   TI
   LI
   LO
   TS
2
GI50 = 8 nM
   TI
   LI
   LO
   TS
3
GI50 = 6030 nM
   TI
   LI
   LO
   TS
4
GI50 > 10000 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000007 HT-29 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 7309 nM
   TI
   LI
   LO
   TS
CL000324 NCI-H3255 Homo sapiens (Human)  2
1
GI50 = 302.8 nM
   TI
   LI
   LO
   TS
2
GI50 = 787.3 nM
   TI
   LI
   LO
   TS