Molecular Details
DICL_CP_0325947
- 5-(4-phenoxybutoxy)isoquinoline
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0325947
PubChem CID
Molecular Formula
C19H19NO2 Molecular Weight
293.366 g/mol
Synonyms/Alias
[CHEMBL549464; 5-(4-Phenoxybutoxy)isoquinoline; BDBM50293330]
InChI Key
BLKDUHVXYHSFKD-UHFFFAOYSA-N
InChI
InChI=1S/C19H19NO2/c1-2-8-17(9-3-1)21-13-4-5-14-22-19-10-6-7-16-15-20-12-11-18(16)19/h1-3,6-12,15H,4...
IUPAC Name
5-(4-phenoxybutoxy)isoquinoline
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
41 43 0 0 0 0 0 0 0 0999 V2000
6.5309 1.3486 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2090 1.7505 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1712 0.815...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 3
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 520 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 7.4
Holding Potential
40 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
22
Rotatable Bonds
7
logP
4.4728
Complexity
88.409
TPSA (Ų)
31.35
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
3