Molecular Details
DICL_CP_0335790
- 4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0335790
PubChem CID
Molecular Formula
C18H16N2O4 Molecular Weight
324.336 g/mol
Synonyms/Alias
[SCHEMBL2583557; CHEMBL3978528; JSWPCSDLXYCWSZ-UHFFFAOYSA-N; 4-{4-(1-N-Pyrazolyl)butoxy}-7H-furo[3;2-g][1]benzopyran-7-on]
InChI Key
JSWPCSDLXYCWSZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H16N2O4/c21-17-5-4-13-16(24-17)12-15-14(6-11-22-15)18(13)23-10-2-1-8-20-9-3-7-19-20/h3-7...
IUPAC Name
4-(4-pyrazol-1-ylbutoxy)furo[3,2-g]chromen-7-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
24 27 0 0 0 0 0 0 0 0999 V2000
-8.4920 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3774 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0782 -0...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 5
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 5000 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
24
Rotatable Bonds
6
logP
3.5949
Complexity
89.212
TPSA (Ų)
70.4
H-Bond Donors
0
H-Bond Acceptors
6
Ring Count
4