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 1

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

P21554

Gene Name

CNR1

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)	28
1	EC50 = 0.631 nM	TI LI LO TS
2	EC50 = 0.7 nM	TI LI LO TS
3	EC50 = 1.259 nM	TI LI LO TS
4	EC50 = 1.4 nM	TI LI LO TS
5	EC50 = 1.43 nM	TI LI LO TS
6	EC50 = 1.66 nM	TI LI LO TS
7	EC50 = 2.28 nM	TI LI LO TS
8	EC50 = 4.9 nM	TI LI LO TS
9	EC50 = 5 nM	TI LI LO TS
10	EC50 = 5.5 nM	TI LI LO TS
11	EC50 = 7 nM	TI LI LO TS
12	EC50 = 7.93 nM	TI LI LO TS
13	EC50 = 10.3 nM	TI LI LO TS
14	EC50 = 19.95 nM	TI LI LO TS
15	EC50 = 30.02 nM	TI LI LO TS
16	EC50 = 42 nM	TI LI LO TS
17	EC50 = 71.89 nM	TI LI LO TS
18	EC50 = 158.49 nM	TI LI LO TS
19	IC50 = 0.13 nM	TI LI LO TS
20	IC50 = 0.9 nM	TI LI LO TS
21	IC50 = 2.1 nM	TI LI LO TS
22	IC50 = 14.4 nM	TI LI LO TS
23	IC50 = 27.5 nM	TI LI LO TS
24	Ki = 0.5 nM	TI LI LO TS
25	Ki = 1.259 nM	TI LI LO TS
26	Ki = 1.28 nM	TI LI LO TS
27	Ki = 1.36 nM	TI LI LO TS
28	Ki = 5.2 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	7
1	EC50 = 0.26 nM	TI LI LO TS
2	EC50 = 1.13 nM	TI LI LO TS
3	EC50 = 3.9 nM	TI LI LO TS
4	EC50 = 20 nM	TI LI LO TS
5	Kd = 0.5 nM	TI LI LO TS
6	Ki = 0.52 nM	TI LI LO TS
7	Ki = 9.26 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	7
1	EC50 = 0.28 nM	TI LI LO TS
2	EC50 = 0.3 nM	TI LI LO TS
3	EC50 = 0.437 nM	TI LI LO TS
4	EC50 = 1.995 nM	TI LI LO TS
5	IC50 = 0.77 nM	TI LI LO TS
6	Ki = 0.5 nM	TI LI LO TS
7	Ki = 0.7 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	3
1	EC50 = 2.28 nM	TI LI LO TS
2	EC50 = 12.88 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 = 5.754 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 3 nM
2	EC50 = 3.2 nM
3	IC50 = 0.21 nM
4	IC50 = 0.31 nM
5	IC50 = 1.4 nM
6	IC50 = 1.7 nM
7	IC50 = 2.512 nM
8	Ki = 0.27 nM
9	Ki = 0.58 nM
10	Ki = 0.6 nM
11	Ki = 0.93 nM
12	Ki = 1.2 nM
13	Ki = 1.37 nM
14	Ki = 5.2 nM
15	Ki = 13 nM

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About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han