Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol

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PubChem ID

CID: 104895

SID: 14926865

Canonical SMILES	CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 Show/Hide
Compound Formula	C24H40O3

Compound Structure

Protein Name

Protein Info

Cannabinoid receptor 2

Protein Classification

Membrane receptor

Family A G protein-coupled receptor

Small molecule receptor (family A GPCR)

Lipid-like ligand receptor (family A GPCR)

Cannabinoid receptor

Uniprot ID

P34972

Gene Name

CNR2

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)	24
1	EC50 = 0.7943 nM	TI LI LO TS
2	EC50 = 0.86 nM	TI LI LO TS
3	EC50 = 1 nM	TI LI LO TS
4	EC50 = 2.37 nM	TI LI LO TS
5	EC50 = 2.7 nM	TI LI LO TS
6	EC50 = 4.13 nM	TI LI LO TS
7	EC50 = 5.5 nM	TI LI LO TS
8	EC50 = 6.1 nM	TI LI LO TS
9	EC50 = 7.4 nM	TI LI LO TS
10	EC50 = 8.66 nM	TI LI LO TS
11	EC50 = 11 nM	TI LI LO TS
12	EC50 = 26 nM	TI LI LO TS
13	EC50 = 28.62 nM	TI LI LO TS
14	EC50 = 30.7 nM	TI LI LO TS
15	EC50 = 35 nM	TI LI LO TS
16	EC50 = 44.33 nM	TI LI LO TS
17	EC50 = 47.1 nM	TI LI LO TS
18	IC50 = 0.82 nM	TI LI LO TS
19	Ki = 0.5012 nM	TI LI LO TS
20	Ki = 0.62 nM	TI LI LO TS
21	Ki = 1.42 nM	TI LI LO TS
22	Ki = 9.73 nM	TI LI LO TS
23	Ki = 15.4 nM	TI LI LO TS
24	Ki = 27 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	12
1	EC50 = 0.35 nM	TI LI LO TS
2	EC50 = 0.88 nM	TI LI LO TS
3	EC50 = 1.03 nM	TI LI LO TS
4	EC50 = 9.3 nM	TI LI LO TS
5	EC50 = 9.4 nM	TI LI LO TS
6	EC50 = 55 nM	TI LI LO TS
7	EC50 = 560 nM	TI LI LO TS
8	IC50 = 1.3 nM	TI LI LO TS
9	Kd = 0.59 nM	TI LI LO TS
10	Ki = 0.89 nM	TI LI LO TS
11	Ki = 1.8 nM	TI LI LO TS
12	Ki = 8.44 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	11
1	EC50 = 0.576 nM	TI LI LO TS
2	EC50 = 2 nM	TI LI LO TS
3	EC50 = 4.21 nM	TI LI LO TS
4	EC50 = 5.6 nM	TI LI LO TS
5	EC50 = 6.31 nM	TI LI LO TS
6	EC50 = 9.8 nM	TI LI LO TS
7	EC50 = 16.3 nM	TI LI LO TS
8	IC50 = 8.3 nM	TI LI LO TS
9	Ki = 0.2 nM	TI LI LO TS
10	Ki = 0.439 nM	TI LI LO TS
11	Ki = 0.69 nM	TI LI LO TS
CL000065	HEK293-EBNA Cell Line Info	Homo sapiens (Human)	1
1	Ki = 0.15 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	3
1	EC50 = 0.43 nM	TI LI LO TS
2	EC50 = 40.74 nM	TI LI LO TS
3	Ki = 0.3162 nM	TI LI LO TS
CL000043	U2OS Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 37.15 nM	TI LI LO TS

Biochemical Assays

1	Ki = 0.6 nM
2	Ki = 0.68 nM
3	Ki = 0.69 nM
4	Ki = 0.7 nM
5	Ki = 15.4 nM

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About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han