Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-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: 5284596

SID: 16463984

Canonical SMILES	Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show/Hide
Compound Formula	C19H21NO4

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)	17
1	IC50 = 7.3 nM	TI LI LO TS
2	IC50 = 23 nM	TI LI LO TS
3	Kd = 0.2188 nM	TI LI LO TS
4	Ki = 0.23 nM	TI LI LO TS
5	Ki = 0.5623 nM	TI LI LO TS
6	Ki = 0.57 nM	TI LI LO TS
7	Ki = 0.66 nM	TI LI LO TS
8	Ki = 0.79 nM	TI LI LO TS
9	Ki = 0.98 nM	TI LI LO TS
10	Ki = 2.27 nM	TI LI LO TS
11	Ki = 3.63 nM	TI LI LO TS
12	Ki = 3.7 nM	TI LI LO TS
13	Ki = 4.23 nM	TI LI LO TS
14	Ki = 43 nM	TI LI LO TS
15	Ki = 51 nM	TI LI LO TS
16	Ki = 51.2 nM	TI LI LO TS
17	Ki = 59.5 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	Ki = 2.3 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 302 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	3
1	Ki = 1.148 nM	TI LI LO TS
2	Ki = 1.259 nM	TI LI LO TS
3	Ki = 354 nM	TI LI LO TS

Biochemical Assays