Bioactivity Information | MolBiC

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

Sigma non-opioid intracellular receptor 1

Protein Classification

Membrane receptor

Uniprot ID

Q99720

Gene Name

SIGMAR1

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	4
1	Ki = 2 nM	TI LI LO TS
2	Ki = 2.1 nM	TI LI LO TS
3	Ki = 5.9 nM	TI LI LO TS
4	Ki = 7 nM	TI LI LO TS
CL000001	Jurkat Cell Line Info	Homo sapiens (Human)	5
1	IC50 = 21 nM	TI LI LO TS
2	Ki = 1.6 nM	TI LI LO TS
3	Ki = 7.762 nM	TI LI LO TS
4	Ki = 8.8 nM	TI LI LO TS
5	Ki = 11.9 nM	TI LI LO TS
CL000196	MDA-MB-468 Cell Line Info	Homo sapiens (Human)	1
1	Ki = 0.21 nM	TI LI LO TS
CL000186	RPMI-8226 Cell Line Info	Homo sapiens (Human)	1
1	Ki = 40 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 5.64 nM
2	IC50 = 213.8 nM
3	Ki = 0.2 nM
4	Ki = 0.44 nM
5	Ki = 1.1 nM
6	Ki = 1.9 nM
7	Ki = 2.2 nM
8	Ki = 2.5 nM
9	Ki = 3.7 nM
10	Ki = 5 nM
11	Ki = 6.3 nM
12	Ki = 6.4 nM
13	Ki = 16 nM