Molecular Details
DICL_CP_0318021
- 1-phenyl-N-(3-pyridin-4-ylpropyl)propan-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0318021
PubChem CID
Molecular Formula
C17H22N2 Molecular Weight
254.377 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
FAGLYJYTTDXKAD-UHFFFAOYSA-N
InChI
InChI=1S/C17H22N2/c1-15(14-17-6-3-2-4-7-17)19-11-5-8-16-9-12-18-13-10-16/h2-4,6-7,9-10,12-13,15,19H,...
IUPAC Name
1-phenyl-N-(3-pyridin-4-ylpropyl)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
19 20 0 0 0 0 0 0 0 0999 V2000
2.1020 -3.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3497 -2.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7547 -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: 8460 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
19
Rotatable Bonds
7
logP
3.235
Complexity
80.1687
TPSA (Ų)
24.92
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2