Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide

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PubChem ID

CID: 104850

SID: 14809274

Canonical SMILES	Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show/Hide
Compound Formula	C22H21Cl3N4O

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)	13
1	IC50 = 92.5 nM	TI LI LO TS
2	IC50 = 600 nM	TI LI LO TS
3	IC50 = 603.3 nM	TI LI LO TS
4	IC50 = 1760 nM	TI LI LO TS
5	IC50 = 9100 nM	TI LI LO TS
6	IC50 = 9800 nM	TI LI LO TS
7	Ki = 126 nM	TI LI LO TS
8	Ki = 313 nM	TI LI LO TS
9	Ki = 560 nM	TI LI LO TS
10	Ki = 900 nM	TI LI LO TS
11	Ki = 1400 nM	TI LI LO TS
12	Ki = 1580 nM	TI LI LO TS
13	Ki = 7700 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	5
1	EC50 = 31210 nM	TI LI LO TS
2	IC50 = 1760 nM	TI LI LO TS
3	IC50 > 1000 nM	TI LI LO TS
4	Ki = 313 nM	TI LI LO TS
5	Ki = 522 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	10
1	EC50 > 10000 nM	TI LI LO TS
2	IC50 = 1.9 nM	TI LI LO TS
3	IC50 = 1631.1 nM	TI LI LO TS
4	IC50 = 1939.8 nM	TI LI LO TS
5	Ki = 398.11 nM	TI LI LO TS
6	Ki = 554 nM	TI LI LO TS
7	Ki = 790 nM	TI LI LO TS
8	Ki = 1640 nM	TI LI LO TS
9	Ki > 40000 nM	TI LI LO TS
10	Ki > 1000 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	2
1	Ki = 815 nM	TI LI LO TS
2	Ki = 851.14 nM	TI LI LO TS

Biochemical Assays

1	Ki = 0.454845 nM
2	Ki = 313 nM
3	Ki = 398.11 nM
4	Ki = 560 nM
5	Ki = 927 nM
6	Ki = 1569 nM
7	Ki > 1000 nM

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About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han