Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

(2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(furan-3-yl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho-[2,1-c]pyran-7-carboxylic acid methyl ester

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PubChem ID

CID: 128563

SID: 16381046

Canonical SMILES	COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show/Hide
Compound Formula	C23H28O8

Compound Structure

Protein Name

Protein Info

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)

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 Cell Line Info	Cricetulus griseus (Chinese hamster)	13
1	EC50 = 0.03 nM	TI LI LO TS
2	EC50 = 1.8 nM	TI LI LO TS
3	EC50 = 2.1 nM	TI LI LO TS
4	EC50 = 4.5 nM	TI LI LO TS
5	EC50 = 6.11 nM	TI LI LO TS
6	EC50 = 6.9 nM	TI LI LO TS
7	EC50 = 7.5 nM	TI LI LO TS
8	EC50 = 45 nM	TI LI LO TS
9	Ki = 1.3 nM	TI LI LO TS
10	Ki = 2.4 nM	TI LI LO TS
11	Ki = 2.5 nM	TI LI LO TS
12	Ki = 3 nM	TI LI LO TS
13	Ki = 7.4 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	4
1	EC50 = 0.03 nM	TI LI LO TS
2	EC50 = 0.04 nM	TI LI LO TS
3	EC50 = 0.042 nM	TI LI LO TS
4	EC50 = 0.21 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	3
1	EC50 = 0.015 nM	TI LI LO TS
2	EC50 = 0.36 nM	TI LI LO TS
3	Ki = 2.9 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	2
1	EC50 = 5 nM	TI LI LO TS
2	Ki = 0.8 nM	TI LI LO TS
CL000043	U2OS Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 31 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 10 nM
2	Ki = 1.9 nM
3	Ki = 6.2 nM
4	Ki = 7.4 nM

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About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han