Brief Information of the Compound and Protein
Compound Name
 Compound Info 
CERITINIB
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 PubChem ID
CID: 57379345
SID: 136885241
Canonical SMILES
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
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Compound Formula C28H36ClN5O3S
Compound Structure
Protein Name
 Protein Info 
ALK tyrosine kinase receptor
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TKL protein kinase group
>
TKL protein kinase STKR family
>
TKL protein kinase STKR Type 1 subfamily
Uniprot ID
Q9UM73
Gene Name
ALK
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 26 nM
   TI
   LI
   LO
   TS
CL000727 Kelly
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 79 nM
   TI
   LI
   LO
   TS
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  9
1
IC50 = 0.83 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.2 nM
   TI
   LI
   LO
   TS
3
IC50 = 3.2 nM
   TI
   LI
   LO
   TS
4
IC50 = 7.6 nM
   TI
   LI
   LO
   TS
5
IC50 = 9.6 nM
   TI
   LI
   LO
   TS
6
IC50 = 17.23 nM
   TI
   LI
   LO
   TS
7
IC50 = 87 nM
   TI
   LI
   LO
   TS
8
IC50 = 172 nM
   TI
   LI
   LO
   TS
9
IC50 = 810 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  4
1
IC50 = 0.61 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.1 nM
   TI
   LI
   LO
   TS
3
IC50 = 1.6 nM
   TI
   LI
   LO
   TS
4
IC50 = 1.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.2 nM
2 IC50 = 0.25 nM
3 IC50 < 1 nM
4 IC50 = 2.1 nM
5 IC50 = 2.3 nM
6 IC50 = 2.4 nM
7 IC50 = 2.6 nM
8 IC50 = 2.9 nM
9 IC50 = 3.1 nM
10 IC50 = 3.3 nM
11 IC50 = 3.4 nM
12 IC50 = 3.94 nM
13 IC50 = 4.2 nM
14 IC50 = 7.4 nM
15 IC50 = 10.3 nM
16 IC50 = 14 nM
17 IC50 = 20 nM
18 IC50 = 27 nM
19 IC50 = 29 nM
20 IC50 = 35 nM
21 IC50 = 47.65 nM
22 IC50 = 80 nM
23 IC50 = 112 nM
24 IC50 = 114.3 nM
25 IC50 = 197 nM
26 IC50 = 198 nM
27 Ki = 3700 nM