Molecular Details
DICL_CP_0323025
- 3-(2-amino-5-nitrophenyl)-1H-quinoxalin-2-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0323025
PubChem CID
Molecular Formula
C14H10N4O3 Molecular Weight
282.259 g/mol
Synonyms/Alias
[Oprea1_481637; NSC829571; AKOS001569090; NSC-829571; SR-01000554137; SR-01000554137-1]
InChI Key
CUOIIYCJOLKGGZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H10N4O3/c15-10-6-5-8(18(20)21)7-9(10)13-14(19)17-12-4-2-1-3-11(12)16-13/h1-7H,15H2,(H,17...
IUPAC Name
3-(2-amino-5-nitrophenyl)-1H-quinoxalin-2-one
CAS Number
319490-42-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 33 0 0 0 0 0 0 0 0999 V2000
4.9684 0.1499 -0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4295 -0.7661 -1.5974 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0465 -0.964...
Experimental Data
Activity Data
Target Ion Channel
Cystic fibrosis transmembrane conductance regulator (Chloride channel)
Uniprot Accession Number
Function
Activator
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: >25000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−100 to 100 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
2
logP
2.0805
Complexity
78.8665
TPSA (Ų)
114.91
H-Bond Donors
2
H-Bond Acceptors
5
Ring Count
3