Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[3-[(3R)-1-amino-3-methyl-4H-pyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
    Show/Hide
 PubChem ID
CID: 90656190
Canonical SMILES
C[C@]1(Cn2cccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
    Show/Hide
Compound Formula C21H17FN6O
Compound Structure
Protein Name
 Protein Info 
Beta-secretase 1
Protein Classification
Enzyme
>
Protease
>
Aspartic protease
>
Aspartic protease AA clan
>
Aspartic protease A1A subfamily
Uniprot ID
P56817
Gene Name
BACE1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000475 SK-N-BE(2)-C
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1.318 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6.166 nM
2 IC50 = 19.5 nM