Bioactivity Information | MolBiC

Brief Information of the Compound and Protein

Compound Name

Compound Info

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

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PubChem ID

CID: 3386

SID: 14874184

Canonical SMILES	CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show/Hide
Compound Formula	C17H18F3NO

Compound Structure

Protein Name

Protein Info

Sodium-dependent serotonin transporter

Protein Classification

Transporter

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Electrochemical transporter

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SLC superfamily of solute carriers

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SLC06 neurotransmitter transporter family

Uniprot ID

P31645

Gene Name

SLC6A4

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)	17
1	IC50 = 2.5 nM	TI LI LO TS
2	IC50 = 3.1 nM	TI LI LO TS
3	IC50 = 3.58 nM	TI LI LO TS
4	IC50 = 5.012 nM	TI LI LO TS
5	IC50 = 5.2 nM	TI LI LO TS
6	IC50 = 7 nM	TI LI LO TS
7	IC50 = 7.2 nM	TI LI LO TS
8	IC50 = 7.3 nM	TI LI LO TS
9	IC50 = 8.6 nM	TI LI LO TS
10	IC50 = 16 nM	TI LI LO TS
11	IC50 = 47 nM	TI LI LO TS
12	IC50 = 150 nM	TI LI LO TS
13	IC50 = 281.84 nM	TI LI LO TS
14	Ki = 1.1 nM	TI LI LO TS
15	Ki = 1.4 nM	TI LI LO TS
16	Ki = 31 nM	TI LI LO TS
17	Ki = 98 nM	TI LI LO TS
CL000232	JAR Cell Line Info	Homo sapiens (Human)	4
1	IC50 = 9.4 nM	TI LI LO TS
2	IC50 = 10 nM	TI LI LO TS
3	IC50 = 32.4 nM	TI LI LO TS
4	IC50 = 39.4 nM	TI LI LO TS
CL000009	LLC-PK1 Cell Line Info	Sus scrofa (Pig)	1
1	IC50 = 5.012 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 3.58 nM
2	IC50 = 180 nM
3	Kd = 0.81 nM
4	Ki = 0.72 nM
5	Ki = 2 nM
6	Ki = 2.2 nM
7	Ki = 3.17 nM
8	Ki = 3.5 nM
9	Ki = 48 nM