Brief Information of the Compound and Protein
Compound Name
 Compound Info 
CAS_117946-91-5
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 PubChem ID
CID: 122162
SID: 14849231
Canonical SMILES
CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
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Compound Formula C19H20N2O
Compound Structure
Protein Name
 Protein Info 
Melatonin receptor type 1A
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine-derivative receptor (family A GPCR)
>
Melatonin receptor
Uniprot ID
P48039
Gene Name
MTNR1A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
Ki = 158 nM
   TI
   LI
   LO
   TS
CL000035 NIH 3T3
 Cell Line Info 
Mus musculus (Mouse)  2
1
Ki = 603 nM
   TI
   LI
   LO
   TS
2
Ki = 794.33 nM
   TI
   LI
   LO
   TS