Brief Information of the Compound and Protein
Compound Name
(S)-N-(2,6-dichloro-4-(dimethylcarbamoyl)phenyl)-1,3-dioxo-2-((1S,2R)-2-phenylcyclopropyl)hexahydroimidazo[1,5-a]pyrazine-7(1H)-carboxamide
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PubChem ID
CID: 56666261
Canonical SMILES
CN(C)C(=O)c1cc(Cl)c(NC(=O)N2CCN3C(=O)N([C@H]4C[C@@H]4c4ccccc4)C(=O)[C@@H]3C2)c(Cl)c1
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Compound Formula C25H25Cl2N5O4
Compound Structure
Protein Name
Protein smoothened
Protein Classification
Membrane receptor
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Frizzled family G protein-coupled receptor
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Smoothened receptor (frizzled family GPCR)
Uniprot ID
Q99835
Gene Name
SMO
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 77 nM
   TI
   LI
   LO
   TS
2
IC50 = 120 nM
   TI
   LI
   LO
   TS
CL000426 Shh Light II Mus musculus (Mouse)  1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS