Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
    Show/Hide
 PubChem ID
CID: 71731823
Canonical SMILES
C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
    Show/Hide
Compound Formula C21H19FN6O2
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
CL000035 NIH 3T3
 Cell Line Info 
Mus musculus (Mouse)  9
1
IC50 = 0.2 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.3 nM
   TI
   LI
   LO
   TS
3
IC50 = 1.6 nM
   TI
   LI
   LO
   TS
4
IC50 = 4.2 nM
   TI
   LI
   LO
   TS
5
IC50 = 9 nM
   TI
   LI
   LO
   TS
6
IC50 = 15 nM
   TI
   LI
   LO
   TS
7
IC50 = 21 nM
   TI
   LI
   LO
   TS
8
IC50 = 38 nM
   TI
   LI
   LO
   TS
9
IC50 = 77 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki < 0.07 nM
2 Ki = 0.7 nM
3 Ki = 8.2 nM