Brief Information of the Compound and Protein
Compound Name
4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)-1-(2-fluorophenyl)-5-methyl-1H-pyrazole
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PubChem ID
CID: 49862237
Canonical SMILES
COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1
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Compound Formula C23H26FN3O2
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 = 40.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 216 nM
   TI
   LI
   LO
   TS