Molecular Details
DICL_CP_0307369
- (5R)-5-(aminomethyl)-1,2-oxazolidin-3-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307369
PubChem CID
Molecular Formula
C4H8N2O2 Molecular Weight
116.12 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
ZHCZZTNIHDWRNS-GSVOUGTGSA-N
InChI
InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m1/s1
IUPAC Name
(5R)-5-(aminomethyl)-1,2-oxazolidin-3-one
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
16 16 0 0 0 0 0 0 0 0999 V2000
-2.4842 0.9702 -0.0575 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5233 -0.0217 -0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2441 0.031...
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: 250 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 7.1
Holding Potential
Not specified
Temperature
4 ℃
Test Method
Binding assay ([3H] GABA)
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
8
Rotatable Bonds
1
logP
-0.3945
Complexity
28.6082
TPSA (Ų)
67.84
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
1