Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide

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PubChem ID

CID: 3036289

SID: 14901839

Canonical SMILES	CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show/Hide
Compound Formula	C19H26Cl2N2O

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)	30
1	EC50 = 1.4 nM	TI LI LO TS
2	EC50 = 1.8 nM	TI LI LO TS
3	EC50 = 2.77 nM	TI LI LO TS
4	EC50 = 2.9 nM	TI LI LO TS
5	EC50 = 3.4 nM	TI LI LO TS
6	EC50 = 4.2 nM	TI LI LO TS
7	EC50 = 4.5 nM	TI LI LO TS
8	EC50 = 5.7 nM	TI LI LO TS
9	EC50 = 6.3 nM	TI LI LO TS
10	EC50 = 7.8 nM	TI LI LO TS
11	EC50 = 9.31 nM	TI LI LO TS
12	EC50 = 13.3 nM	TI LI LO TS
13	EC50 = 14.4 nM	TI LI LO TS
14	EC50 = 30 nM	TI LI LO TS
15	EC50 = 36 nM	TI LI LO TS
16	EC50 = 46 nM	TI LI LO TS
17	EC50 = 80 nM	TI LI LO TS
18	ED50 = 27 nM	TI LI LO TS
19	IC50 = 0.64 nM	TI LI LO TS
20	Ki = 0.2 nM	TI LI LO TS
21	Ki = 0.91 nM	TI LI LO TS
22	Ki = 1.2 nM	TI LI LO TS
23	Ki = 1.4 nM	TI LI LO TS
24	Ki = 1.6 nM	TI LI LO TS
25	Ki = 2.2 nM	TI LI LO TS
26	Ki = 4.5 nM	TI LI LO TS
27	Ki = 6.08 nM	TI LI LO TS
28	Ki = 23.9 nM	TI LI LO TS
29	Ki = 31.2 nM	TI LI LO TS
30	Ki = 120 nM	TI LI LO TS
CL001020	EE-HEK293 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 630.96 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	5
1	IC50 = 0.3 nM	TI LI LO TS
2	IC50 = 0.9 nM	TI LI LO TS
3	IC50 = 1.2 nM	TI LI LO TS
4	Ki = 1.5 nM	TI LI LO TS
5	Ki = 2.9 nM	TI LI LO TS
CL000194	RBL-1 Cell Line Info	Rattus norvegicus (Rat)	1
1	Ki = 0.3 nM	TI LI LO TS
CL000043	U2OS Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 31.62 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 0.55 nM
2	IC50 = 0.69 nM
3	IC50 = 0.75 nM
4	IC50 = 0.84 nM
5	IC50 = 2.5 nM
6	Ki = 0.5 nM
7	Ki = 0.69 nM
8	Ki = 1.1 nM
9	Ki = 1.7 nM
10	Ki = 15 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han