Molecular Details
DICL_CP_0310336
- (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310336
PubChem CID
Molecular Formula
C7H10N2O4 Molecular Weight
186.167 g/mol
Synonyms/Alias
[(S)-AMPA; 83643-88-3; (S)-alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid; AMPA; L-; L-AMPA; S-AMPA; CHEMBL276815; 9280SC28GD; 4-Isoxazolepropanoic acid; alpha-amino-2;3-dihydro-5-methyl-3-o...
InChI Key
UUDAMDVQRQNNHZ-YFKPBYRVSA-N
InChI
InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
IUPAC Name
(2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
CAS Number
77521-29-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
23 23 0 0 0 0 0 0 0 0999 V2000
1.8540 1.2590 1.6541 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9870 0.2855 0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0470 0.017...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit kainate 3
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 42700 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.1
Holding Potential
Not specified
Temperature
4 °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
13
Rotatable Bonds
3
logP
-0.7693
Complexity
43.3809
TPSA (Ų)
109.32
H-Bond Donors
3
H-Bond Acceptors
4
Ring Count
1