Molecular Details
DICL_CP_0320303
- 4-(7-oxofuro[3,2-g]chromen-4-yl)oxybutanenitrile
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320303
PubChem CID
Molecular Formula
C15H11NO4 Molecular Weight
269.256 g/mol
Synonyms/Alias
[SCHEMBL2579673; CHEMBL3941516; KPRRRDROEWAXEN-UHFFFAOYSA-N; 4-(3-Cyanopropoxy)-7H-furo[3;2-g][1]benzopyran-7-on]
InChI Key
KPRRRDROEWAXEN-UHFFFAOYSA-N
InChI
InChI=1S/C15H11NO4/c16-6-1-2-7-19-15-10-3-4-14(17)20-13(10)9-12-11(15)5-8-18-12/h3-5,8-9H,1-2,7H2
IUPAC Name
4-(7-oxofuro[3,2-g]chromen-4-yl)oxybutanenitrile
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
20 22 0 0 0 0 0 0 0 0999 V2000
1.6327 -2.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9871 -2.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2226 -1...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 3
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 1300 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−80 to 40 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
4
logP
3.2218
Complexity
72.598
TPSA (Ų)
76.37
H-Bond Donors
0
H-Bond Acceptors
5
Ring Count
3