Brief Information of the Compound and Protein
Compound Name
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
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Compound Formula C21H23ClFNO2
Compound Structure
Protein Name
D(2) dopamine receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Monoamine receptor
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Dopamine receptor
Uniprot ID
P61169
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 4.8 nM
   TI
   LI
   LO
   TS
2
Ki = 1.1 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  2
1
Ki = 1.01 nM
   TI
   LI
   LO
   TS
2
Ki = 1.63 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 7.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.5 nM
2 IC50 = 5.5 nM
3 IC50 = 7 nM
4 IC50 = 7.5 nM
5 IC50 = 17.5 nM
6 IC50 = 18 nM
7 IC50 = 40 nM
8 Ki = 0.2 nM
9 Ki = 0.47 nM
10 Ki = 0.75 nM
11 Ki = 0.871 nM
12 Ki = 1.4 nM
13 Ki = 1.5 nM
14 Ki = 1.86 nM
15 Ki = 2.6 nM
16 Ki = 2.69 nM
17 Ki = 3.311 nM
18 Ki = 4 nM
19 Ki = 4.365 nM
20 Ki = 4.8 nM
21 Ki = 5.012 nM