Brief Information of the Compound and Protein
Compound Name
US9586950, 1
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PubChem ID
CID: 73673014
Canonical SMILES
COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
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Compound Formula C23H22N6O4
Compound Structure
Protein Name
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 749 nM
   TI
   LI
   LO
   TS
2
Ki = 56 nM
   TI
   LI
   LO
   TS