Molecular Details
DICL_CP_0308225
- (2S)-2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308225
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
1.2639 1.0285 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5057 -0.0191 -0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0581 -0.466...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 1
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >100000 nM
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
Binding assay
Test Species
Sf9 cell
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