Brief Information of the Compound and Protein
Compound Name
(+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide
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PubChem ID
CID: 123924
SID: 14833255
Canonical SMILES
CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
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Compound Formula C28H39N3O2
Compound Structure
Protein Name
Delta-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
P41143
Gene Name
OPRD1
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 = 1.9 nM
   TI
   LI
   LO
   TS
2
EC50 = 4.8 nM
   TI
   LI
   LO
   TS
3
EC50 = 7.6 nM
   TI
   LI
   LO
   TS
4
EC50 = 10 nM
   TI
   LI
   LO
   TS
5
EC50 = 14.4 nM
   TI
   LI
   LO
   TS
6
EC50 = 15.7 nM
   TI
   LI
   LO
   TS
7
EC50 = 210 nM
   TI
   LI
   LO
   TS
8
ED50 = 26 nM
   TI
   LI
   LO
   TS
9
IC50 = 2 nM
   TI
   LI
   LO
   TS
10
IC50 = 2.2 nM
   TI
   LI
   LO
   TS
11
Ki = 1.2 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
Ki = 1.2 nM
   TI
   LI
   LO
   TS
2
Ki = 1.7 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 1.7 nM
   TI
   LI
   LO
   TS
2
EC50 = 15.7 nM
   TI
   LI
   LO
   TS
CL000107 HEK293S Homo sapiens (Human)  1
1
IC50 = 1.31 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 3.67 nM
2 IC50 = 1.3 nM
3 IC50 = 1.31 nM
4 IC50 = 2.85 nM
5 IC50 = 49.1 nM
6 Ki = 1.29 nM
7 Ki = 1.7 nM