Molecular Details
DICL_CP_0326632
- 2-(4-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0326632
PubChem CID
Molecular Formula
C16H10ClN3O Molecular Weight
295.729 g/mol
Synonyms/Alias
[Cgs-9896; 77779-36-3; 2-(4-chlorophenyl)-1H-pyrazolo[4;3-c]quinolin-3-one; Cgs 9896; 86PWQ4PVN0; 2-(4-Chlorophenyl)-2;5-dihydropyrazolo(4;3-c)quinoline-3(3H)-one; UNII-86PWQ4PVN0; 2-(4-chlorophenyl)-...
InChI Key
QCBUAKLOWCOUCR-UHFFFAOYSA-N
InChI
InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
IUPAC Name
2-(4-chlorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CAS Number
77779-36-3
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
-3.6683 2.4767 -0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8307 1.7329 -0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7459 0.404...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-1
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 1 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Benzodiazepine binding site
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
1
logP
3.5204
Complexity
84.2067
TPSA (Ų)
50.68
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
4