Molecular Details
DICL_CP_0307630
- 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307630
PubChem CID
Molecular Formula
C6H8N2O2 Molecular Weight
140.142 g/mol
Synonyms/Alias
[gaboxadol; THIP; 64603-91-4; Gaboxadolum; Gaboxadolum [Latin]; 4;5;6;7-Tetrahydroisoxazolo(5;4-c)pyridin-3-ol; MK-0928; 4;5;6;7-tetrahydroisoxazolo[5;4-c]pyridin-3-ol; Lu 02-030; 4;5;6;7-tetrahydro-[...
InChI Key
ZXRVKCBLGJOCEE-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
IUPAC Name
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
CAS Number
64603-91-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
18 19 0 0 0 0 0 0 0 0999 V2000
-0.3618 -1.4198 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6828 -0.8752 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9463 0.519...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2s
Uniprot Accession Number
Function
Agonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: 26100 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
L(tk-) cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
GABA site
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
0
logP
-0.3864
Complexity
34.7394
TPSA (Ų)
58.03
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
2