Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)-1-(tetrahydro-2H-pyran-4-yl)pyrrolidine-3-carbonyl)-5-methyl-3H-spiro[isobenzofuran-1,4'-piperidine]-3-yl)-2-methylpropanenitrile
    Show/Hide
 PubChem ID
CID: 46919520
SID: 99384930
Canonical SMILES
Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)C#N
    Show/Hide
Compound Formula C33H38ClF2N3O3
Compound Structure
Protein Name
 Protein Info 
Melatonin receptor type 1B
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
P49286
Gene Name
MTNR1B
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)  1
1
EC50 = 1697 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1523 nM