Molecular Details
DICL_CP_0323135
- 4-(4-phenoxybutoxy)-1-benzofuran
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0323135
PubChem CID
Molecular Formula
C18H18O3 Molecular Weight
282.339 g/mol
Synonyms/Alias
[4-(4-Phenoxybutoxy)benzofuran; CHEMBL559956; BDBM50293344]
InChI Key
BVNFAUAGGNZVBN-UHFFFAOYSA-N
InChI
InChI=1S/C18H18O3/c1-2-7-15(8-3-1)19-12-4-5-13-20-17-9-6-10-18-16(17)11-14-21-18/h1-3,6-11,14H,4-5,1...
IUPAC Name
4-(4-phenoxybutoxy)-1-benzofuran
CAS Number
870653-45-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
39 41 0 0 0 0 0 0 0 0999 V2000
5.3218 2.0050 1.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0572 0.7002 1.7674 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3814 -0.188...
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: 650 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
21
Rotatable Bonds
7
logP
4.6708
Complexity
82.88
TPSA (Ų)
31.6
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
3