Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(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 Show/Hide
Compound Formula	C20H23NO4

Compound Structure

Protein Name

Protein Info

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 Cell Line Info	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 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	Ki = 0.1585 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	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