Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
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 PubChem ID
CID: 24965990
SID: 56264110
Canonical SMILES
C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1
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Compound Formula C23H23ClN6O2
Compound Structure
Protein Name
 Protein Info 
Orexin/Hypocretin receptor type 1
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
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)  4
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
2
Ki = 0.55 nM
   TI
   LI
   LO
   TS
3
Ki = 0.6 nM
   TI
   LI
   LO
   TS
4
Ki = 3.09 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 199 nM
   TI
   LI
   LO
   TS
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 0.3981 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 50 nM
2 Ki = 0.6 nM