Brief Information of the Compound and Protein
Compound Name
5,18-dimethyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-14-oxo-9-oxa-15,18,23,25,26-pentazatetracyclo[17.5.2.14,8.022,25]heptacosa-1(24),4,6,8(27),19(26),20,22-heptaen-2-yne-6-carboxamide
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PubChem ID
CID: 168280944
Canonical SMILES
CN1CCN(Cc2cc(NC(=O)c3cc4OCCCCC(=O)NCCN(C)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C(F)(F)F)CC1
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Compound Formula C37H41F3N8O3
Compound Structure
Protein Name
High affinity nerve growth factor receptor
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase Trk family
Uniprot ID
P04629
Gene Name
NTRK1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 7.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.7 nM
2 IC50 = 80.6 nM