Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one;propionate(HCl)

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PubChem ID

CID: 3559

SID: 14902191

Canonical SMILES	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show/Hide
Compound Formula	C21H23ClFNO2

Compound Structure

Protein Name

Protein Info

D(2) dopamine receptor

Protein Classification

Membrane receptor

Family A G protein-coupled receptor

Small molecule receptor (family A GPCR)

Monoamine receptor

Dopamine receptor

Uniprot ID

P14416

Gene Name

DRD2

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000049	C6 Cell Line Info	Rattus norvegicus (Rat)	2
1	Ki = 4.2 nM	TI LI LO TS
2	Ki = 6400 nM	TI LI LO TS
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	16
1	Ki = 0.25 nM	TI LI LO TS
2	Ki = 0.42 nM	TI LI LO TS
3	Ki = 0.81 nM	TI LI LO TS
4	Ki = 0.84 nM	TI LI LO TS
5	Ki = 0.85 nM	TI LI LO TS
6	Ki = 0.87 nM	TI LI LO TS
7	Ki = 0.96 nM	TI LI LO TS
8	Ki = 1.1 nM	TI LI LO TS
9	Ki = 1.4 nM	TI LI LO TS
10	Ki = 1.5 nM	TI LI LO TS
11	Ki = 2 nM	TI LI LO TS
12	Ki = 3 nM	TI LI LO TS
13	Ki = 3.3 nM	TI LI LO TS
14	Ki = 4.8 nM	TI LI LO TS
15	Ki = 5.012 nM	TI LI LO TS
16	Ki = 18 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	10
1	IC50 = 0.16 nM	TI LI LO TS
2	Kd = 0.4898 nM	TI LI LO TS
3	Ki = 0.44 nM	TI LI LO TS
4	Ki = 0.4677 nM	TI LI LO TS
5	Ki = 1.4 nM	TI LI LO TS
6	Ki = 1.6 nM	TI LI LO TS
7	Ki = 1.862 nM	TI LI LO TS
8	Ki = 3.25 nM	TI LI LO TS
9	Ki = 4 nM	TI LI LO TS
10	Ki > 217 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	1
1	Ki = 0.263 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	9
1	IC50 = 550 nM	TI LI LO TS
2	Ki = 0.85 nM	TI LI LO TS
3	Ki = 1 nM	TI LI LO TS
4	Ki = 1.1 nM	TI LI LO TS
5	Ki = 1.4 nM	TI LI LO TS
6	Ki = 1.9 nM	TI LI LO TS
7	Ki = 2 nM	TI LI LO TS
8	Ki = 4.5 nM	TI LI LO TS
9	Ki = 5.9 nM	TI LI LO TS
CL000041	LTK- Cell Line Info	Mus musculus (Mouse)	2
1	Ki = 0.16 nM	TI LI LO TS
2	Ki = 0.44 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	1
1	Ki = 8.5 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 4 nM
2	IC50 = 4.1 nM
3	IC50 = 4.9 nM
4	Ki = 0.12 nM
5	Ki = 0.16 nM
6	Ki = 0.5 nM
7	Ki = 0.6026 nM
8	Ki = 0.66 nM
9	Ki = 0.7 nM
10	Ki = 0.74 nM
11	Ki = 0.7943 nM
12	Ki = 0.89 nM
13	Ki = 0.8913 nM
14	Ki = 1 nM
15	Ki = 1.1 nM
16	Ki = 1.122 nM
17	Ki = 1.3 nM
18	Ki = 1.4 nM
19	Ki = 1.5 nM
20	Ki = 1.97 nM
21	Ki = 2 nM
22	Ki = 2.2 nM
23	Ki = 2.5 nM
24	Ki = 2.6 nM
25	Ki = 2.61 nM
26	Ki = 2.84 nM
27	Ki = 3 nM
28	Ki = 3.6 nM
29	Ki = 3.7 nM
30	Ki = 4.2 nM
31	Ki = 5.58 nM
32	Ki = 9.6 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han