Molecular Details
DICL_CP_0319139
- 2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319139
PubChem CID
Molecular Formula
C16H11N3O Molecular Weight
261.284 g/mol
Synonyms/Alias
[77779-60-3; CGS-8216; CGS8216; Cgs 8216; 2-phenylpyrazolo(4;3-c)quinolin-3(5H)-one; 2-phenyl-2H-pyrazolo[4;3-c]quinolin-3(5H)-one; YXH2C8E92N; 2-phenyl-1;2-dihydro-3h-pyrazolo[4;3-c]quinolin-3-one; 2...
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
164025-44-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 34 0 0 0 0 0 0 0 0999 V2000
-5.2174 -0.4013 0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7781 -0.6950 -0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4311 -0.530...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-4beta-3/gamma-2s
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 11.9 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Benzodiazepine binding site
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