Molecular Details
DICL_CP_0307618
- 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-5-ium-3-olate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307618
PubChem CID
Molecular Formula
C6H8N2O2 Molecular Weight
140.142 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
SXXLKZCNJHJYFL-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)
IUPAC Name
4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-5-ium-3-olate
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
18 19 0 0 0 0 0 0 0 0999 V2000
3.2623 -0.3752 1.0677 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3136 0.3947 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4089 1.739...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit gamma-1
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 72000 nM
EC50
N/A (Not available)
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
20 ℃
Test Method
Binding assay
Test Species
rat
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
0
logP
-1.7835
Complexity
32.4984
TPSA (Ų)
60.92
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2