Brief Information of the Compound and Protein
Compound Name
N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
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PubChem ID
CID: 44607530
SID: 87357293
Canonical SMILES
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
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Compound Formula C25H27ClN6O3
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 = 710 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  9
1
EC50 = 26 nM
   TI
   LI
   LO
   TS
2
EC50 = 27 nM
   TI
   LI
   LO
   TS
3
EC50 = 31 nM
   TI
   LI
   LO
   TS
4
EC50 = 68 nM
   TI
   LI
   LO
   TS
5
EC50 = 989 nM
   TI
   LI
   LO
   TS
6
GI50 = 2.1 nM
   TI
   LI
   LO
   TS
7
GI50 = 890 nM
   TI
   LI
   LO
   TS
8
GI50 = 1300 nM
   TI
   LI
   LO
   TS
9
GI50 = 2200 nM
   TI
   LI
   LO
   TS
CL000323 LoVo Homo sapiens (Human)  1
1
IC50 = 1180 nM
   TI
   LI
   LO
   TS
CL000157 NCI-H1975 Homo sapiens (Human)  2
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
2
IC50 = 46 nM
   TI
   LI
   LO
   TS
CL000145 NCI-H460 Homo sapiens (Human)  1
1
IC50 = 18210 nM
   TI
   LI
   LO
   TS
CL000379 PC-9 Homo sapiens (Human)  1
1
IC50 = 110 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  6
1
IC50 = 0.19 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.42 nM
   TI
   LI
   LO
   TS
3
IC50 < 1 nM
   TI
   LI
   LO
   TS
4
IC50 = 10 nM
   TI
   LI
   LO
   TS
5
IC50 = 16 nM
   TI
   LI
   LO
   TS
6
IC50 = 2050 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.4 nM
2 IC50 = 1.7 nM
3 IC50 = 2.16 nM
4 IC50 = 3.2 nM
5 IC50 = 4.4 nM
6 IC50 = 6.18 nM
7 IC50 = 6.47 nM
8 IC50 = 35 nM
9 IC50 = 79 nM
10 Kd = 46 nM