Brief Information of the Compound and Protein
Compound Name
1-[5-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
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PubChem ID
CID: 50802201
Canonical SMILES
Cc1ccc2nc(CSc3nnc(NC(=O)Nc4cccc(c4)C(F)(F)F)s3)cc(=O)n2c1
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Compound Formula C20H15F3N6O2S2
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 262.7 nM
   TI
   LI
   LO
   TS
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
Kd = 11.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 21 nM
2 Ki = 67 nM