Brief Information of the Compound and Protein
Compound Name
1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazine
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PubChem ID
CID: 3455
SID: 14759906
Canonical SMILES
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
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Compound Formula C28H32F2N2O
Compound Structure
Protein Name
Sodium-dependent dopamine transporter
Protein Classification
Transporter
>
Electrochemical transporter
>
SLC superfamily of solute carriers
>
SLC06 neurotransmitter transporter family
Uniprot ID
Q01959
Gene Name
SLC6A3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 0.71 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  5
1
IC50 = 26 nM
   TI
   LI
   LO
   TS
2
IC50 = 40 nM
   TI
   LI
   LO
   TS
3
IC50 = 43 nM
   TI
   LI
   LO
   TS
4
IC50 = 190 nM
   TI
   LI
   LO
   TS
5
Ki = 8.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7.2 nM
2 IC50 = 27 nM
3 Ki = 3.7 nM
4 Ki = 5.07 nM
5 Ki = 22 nM