Molecular Details
DICL_CP_0308218
- (2S)-2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308218
PubChem CID
Molecular Formula
C5H6N2O4 Molecular Weight
158.113 g/mol
Synonyms/Alias
[L-Ibotenic acid; 25690-45-3; Ibotenic acid; (S)-; Ibotenic acid; L-; CHEMBL30285; (2S)-2-amino-2-(3-oxo-1;2-oxazol-5-yl)acetic acid; L61L2F576C; (S)-2-amino-2-(3-oxo-2;3-dihydroisoxazol-5-yl)acetic a...
InChI Key
IRJCBFDCFXCWGO-BYPYZUCNSA-N
InChI
InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)/t4-/m0/s1
IUPAC Name
(2S)-2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid
CAS Number
2552-55-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
17 17 0 0 0 0 0 0 0 0999 V2000
1.3926 0.7827 -0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 0.0993 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9337 -1.033...
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
-0.9477
Complexity
33.8929
TPSA (Ų)
109.32
H-Bond Donors
3
H-Bond Acceptors
4
Ring Count
1