Molecular Details
DICL_CP_0308324
- (2S)-2-amino-2-[(5R)-3-oxo-1,2-oxazolidin-5-yl]acetic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308324
PubChem CID
Molecular Formula
C5H8N2O4 Molecular Weight
160.129 g/mol
Synonyms/Alias
[CHEMBL260122; BDBM50373182]
InChI Key
NTHMUJMQOXQYBR-FONMRSAGSA-N
InChI
InChI=1S/C5H8N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2,4H,1,6H2,(H,7,8)(H,9,10)/t2-,4+/m1/s1
IUPAC Name
(2S)-2-amino-2-[(5R)-3-oxo-1,2-oxazolidin-5-yl]acetic acid
CAS Number
2644-49-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
19 19 0 0 0 0 0 0 0 0999 V2000
1.2571 0.3980 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3078 -0.5692 0.0787 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9388 -0.980...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 1
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: >1000000 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
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay (Calcium Imaging)
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
11
Rotatable Bonds
2
logP
-1.7816
Complexity
33.2439
TPSA (Ų)
101.65
H-Bond Donors
3
H-Bond Acceptors
4
Ring Count
1