Molecular Details
DICL_CP_0312215
- 1-(6-hydroxy-4-methoxy-1-benzofuran-5-yl)etha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312215
PubChem CID
Molecular Formula
C11H10O4 Molecular Weight
206.197 g/mol
Synonyms/Alias
[Visnagi; 484-27-5; 1-(6-Hydroxy-4-methoxy-5-benzofuranyl)etha; Etha; 1-(6-hydroxy-4-methoxy-5-benzofuranyl)-; 9ZQ0A5SY7A; UNII-9ZQ0A5SY7A; CHEMBL422416; 1-(6-Hydroxy-4-methoxybenzofuran-5-yl)ethan-1-...
InChI Key
JGNYBYBMPAOPJD-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O4/c1-6(12)10-8(13)5-9-7(3-4-15-9)11(10)14-2/h3-5,13H,1-2H3
IUPAC Name
1-(6-hydroxy-4-methoxy-1-benzofuran-5-yl)etha
CAS Number
82-02-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 26 0 0 0 0 0 0 0 0999 V2000
-3.3355 -0.7123 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1467 -0.0947 0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3430 0.726...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 3
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
Kd: 100000 nM
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−80 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Homo sapiens T cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
2
logP
2.3496
Complexity
54.4353
TPSA (Ų)
59.67
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
2