Molecular Details
DICL_CP_0330977
- 4-(4-phenoxybutoxy)chromen-2-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0330977
PubChem CID
Molecular Formula
C19H18O4 Molecular Weight
310.349 g/mol
Synonyms/Alias
[CHEMBL559624; BDBM50293332; 4-(4-Phenoxybutoxy)-2H-[1]benzopyran-2-one]
InChI Key
ZKNIIOVBZQKOSP-UHFFFAOYSA-N
InChI
InChI=1S/C19H18O4/c20-19-14-18(16-10-4-5-11-17(16)23-19)22-13-7-6-12-21-15-8-2-1-3-9-15/h1-5,8-11,14...
IUPAC Name
4-(4-phenoxybutoxy)chromen-2-one
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
7.3328 0.9251 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9565 -0.1751 -0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6124 -0.553...
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: 890 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
23
Rotatable Bonds
7
logP
4.031
Complexity
89.15
TPSA (Ų)
48.67
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3