Molecular Details
DICL_CP_0319137
- 2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319137
PubChem CID
Molecular Formula
C16H11N3O Molecular Weight
261.284 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
XTYGFVVANLMBHE-UHFFFAOYSA-N
InChI
InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H
IUPAC Name
2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-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
20 23 0 0 0 0 0 0 0 0999 V2000
-1.6210 -2.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8325 -1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4014 -0...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-4
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 8 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
4 ℃
Test Method
Binding assay ([3H] R015-4513)
Test Species
Human embryonic kidney (HEK) 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
1
logP
2.867
Complexity
79.1967
TPSA (Ų)
50.68
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
4