Brief Information of the Compound and Protein
Compound Name
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(oxidanyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride
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PubChem ID
CID: 5360515
SID: 14875729
Canonical SMILES
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
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Compound Formula C20H23NO4
Compound Structure
Protein Name
Mu-type opioid receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
Opioid receptor
Uniprot ID
P35372
Gene Name
OPRM1
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)  22
1
EC50 = 0.38 nM
   TI
   LI
   LO
   TS
2
EC50 = 16 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.59 nM
   TI
   LI
   LO
   TS
4
IC50 = 2.87 nM
   TI
   LI
   LO
   TS
5
IC50 = 4.1 nM
   TI
   LI
   LO
   TS
6
IC50 = 4.8 nM
   TI
   LI
   LO
   TS
7
IC50 = 8.9 nM
   TI
   LI
   LO
   TS
8
IC50 = 15.5 nM
   TI
   LI
   LO
   TS
9
IC50 = 17 nM
   TI
   LI
   LO
   TS
10
Ki = 0.07 nM
   TI
   LI
   LO
   TS
11
Ki = 0.11 nM
   TI
   LI
   LO
   TS
12
Ki = 0.2 nM
   TI
   LI
   LO
   TS
13
Ki = 0.23 nM
   TI
   LI
   LO
   TS
14
Ki = 0.26 nM
   TI
   LI
   LO
   TS
15
Ki = 0.3 nM
   TI
   LI
   LO
   TS
16
Ki = 0.59 nM
   TI
   LI
   LO
   TS
17
Ki = 0.7 nM
   TI
   LI
   LO
   TS
18
Ki = 0.87 nM
   TI
   LI
   LO
   TS
19
Ki = 1 nM
   TI
   LI
   LO
   TS
20
Ki = 1.15 nM
   TI
   LI
   LO
   TS
21
Ki = 1.995 nM
   TI
   LI
   LO
   TS
22
Ki = 2.71 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 0.1585 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  5
1
Ki = 0.1995 nM
   TI
   LI
   LO
   TS
2
Ki = 0.2754 nM
   TI
   LI
   LO
   TS
3
Ki = 0.3 nM
   TI
   LI
   LO
   TS
4
Ki = 0.45 nM
   TI
   LI
   LO
   TS
5
Ki = 3.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.2 nM
2 Ki = 0.34 nM
3 Ki = 0.56 nM