Brief Information of the Compound and Protein
Compound Name
N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamide
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PubChem ID
CID: 105104
SID: 50093889
Canonical SMILES
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
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Compound Formula C22H32N2O2
Compound Structure
Protein Name
Kappa-type opioid receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
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Opioid receptor
Uniprot ID
P41145
Gene Name
OPRK1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  11
1
EC50 = 0.8 nM
   TI
   LI
   LO
   TS
2
EC50 = 12.5 nM
   TI
   LI
   LO
   TS
3
EC50 = 26.1 nM
   TI
   LI
   LO
   TS
4
EC50 = 28.1 nM
   TI
   LI
   LO
   TS
5
EC50 = 60.14 nM
   TI
   LI
   LO
   TS
6
EC50 = 207 nM
   TI
   LI
   LO
   TS
7
Ki = 0.3 nM
   TI
   LI
   LO
   TS
8
Ki = 1.05 nM
   TI
   LI
   LO
   TS
9
Ki = 1.1 nM
   TI
   LI
   LO
   TS
10
Ki = 1.6 nM
   TI
   LI
   LO
   TS
11
Ki = 3.5 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  7
1
EC50 = 5.3 nM
   TI
   LI
   LO
   TS
2
EC50 = 12 nM
   TI
   LI
   LO
   TS
3
EC50 = 80 nM
   TI
   LI
   LO
   TS
4
EC50 = 534 nM
   TI
   LI
   LO
   TS
5
ED50 = 24 nM
   TI
   LI
   LO
   TS
6
IC50 = 2 nM
   TI
   LI
   LO
   TS
7
IC50 = 8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM
2 Ki = 0.475 nM
3 Ki = 1.11 nM