Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
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 PubChem ID
CID: 9926791
SID: 16573063
Canonical SMILES
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
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Compound Formula C16H20N6O
Compound Structure
Protein Name
 Protein Info 
Non-receptor tyrosine-protein kinase TYK2
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase JakB family
Uniprot ID
P29597
Gene Name
TYK2
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)  2
1
GI50 = 1524 nM
   TI
   LI
   LO
   TS
2
IC50 = 1200 nM
   TI
   LI
   LO
   TS
CL000132 NK-92
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 710 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 52 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 < 5 nM
2 IC50 = 3.6 nM
3 IC50 = 9 nM
4 IC50 = 10.1 nM
5 IC50 = 10.38 nM
6 IC50 = 12.8 nM
7 IC50 = 24 nM
8 IC50 = 32.3 nM
9 IC50 = 34 nM
10 IC50 = 72 nM
11 IC50 = 112 nM
12 IC50 = 260 nM
13 IC50 = 489 nM
14 Kd = 4.8 nM
15 Kd = 250 nM
16 Kd = 620 nM
17 Kd > 10000 nM
18 Ki = 4.39 nM
19 Ki = 4.4 nM
20 Ki = 7.3 nM
21 Ki = 7.8 nM