Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[(7R)-4-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
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 PubChem ID
CID: 90656179
Canonical SMILES
C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2c(C)nn(C)c2n1
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Compound Formula C22H25N9O
Compound Structure
Protein Name
 Protein Info 
Orexin/Hypocretin receptor type 1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Orexin receptor
Uniprot ID
O43613
Gene Name
HCRTR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 200 nM
   TI
   LI
   LO
   TS
2
Ki = 4.5 nM
   TI
   LI
   LO
   TS