Brief Information of the Compound and Protein
Compound Name
(5Z)-4-[(3-chloro-4-fluorophenyl)amino]-5-({5-[(3,5-dimethylpiperazin-1-yl)carbonyl]-3-methyl-1H-pyrrol-2-yl}methylidene)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
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PubChem ID
CID: 5329245
Canonical SMILES
CC1CN(CC(C)N1)C(=O)c1cc(C)c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)[nH]1
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Compound Formula C25H25ClFN7O2
Compound Structure
Protein Name
Receptor tyrosine-protein kinase erbB-2
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
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
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 510 nM
   TI
   LI
   LO
   TS
CL000084 SK-OV-3 Homo sapiens (Human)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS