Molecular Details
DICL_CP_0320817
- 1-fluoro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320817
PubChem CID
Molecular Formula
C18H22FN Molecular Weight
271.379 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
FVXLUZCQBMCRHW-UHFFFAOYSA-N
InChI
InChI=1S/C18H22FN/c19-15-18(14-17-10-5-2-6-11-17)20-13-7-12-16-8-3-1-4-9-16/h1-6,8-11,18,20H,7,12-15...
IUPAC Name
1-fluoro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
20 21 0 0 0 0 0 0 0 0999 V2000
0.7060 -3.9053 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.1050 -3.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3361 -1...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated inwardly rectifying potassium channel KCNH2
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 17100 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
4° C
Test Method
[3H]DA and [3H]5-HT Uptake Assay
Test Species
HEK-293 cells
Binding Information
Binding Site
[3H]dofetilide binding site
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US11999676
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
8
logP
3.7896
Complexity
82.6747
TPSA (Ų)
12.03
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
2