Molecular Details
DICL_CP_0320815
- 1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320815
PubChem CID
Molecular Formula
C18H22FN Molecular Weight
271.379 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
OBDLMSUWJVQSQE-UHFFFAOYSA-N
InChI
InChI=1S/C18H22FN/c1-15(14-17-9-11-18(19)12-10-17)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,20H,5,8...
IUPAC Name
1-(4-fluorophenyl)-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
1.5788 -3.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9348 -2.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3747 -2...
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: 2050 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
7
logP
3.9791
Complexity
82.3317
TPSA (Ų)
12.03
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
2