Brief Information of the Compound and Protein
Compound Name
(4aS,8aR)-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one
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PubChem ID
CID: 71719394
Canonical SMILES
COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12
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Compound Formula C33H40N6O4
Compound Structure
Protein Name
Phosphodiesterase
Protein Classification
Enzyme
Uniprot ID
Q8WQX9
Gene Name
PDEB1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
2
Ki = 3.981 nM
   TI
   LI
   LO
   TS