Molecular Details
DICL_CP_0326368
- 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0326368
PubChem CID
Molecular Formula
C16H16F3NO Molecular Weight
295.304 g/mol
Synonyms/Alias
[Norfluoxetine; 83891-03-6; Desmethylfluoxetine; 56161-73-0; 3-Phenyl-3-(4-trifluoromethyl-phenoxy)-propylamine; 3-phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine; 3-phenyl-3-[4-(trifluoromethyl)p...
InChI Key
WIQRCHMSJFFONW-UHFFFAOYSA-N
InChI
InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
IUPAC Name
3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CAS Number
54910-89-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 22 0 0 0 0 0 0 0 0999 V2000
6.3875 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4558 -1.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9719 -1...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily C member 1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 800 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
−85.2 mV mV
Temperature
22−23 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
5
logP
4.1743
Complexity
74.9264
TPSA (Ų)
35.25
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2