Molecular Details
DICL_CP_0311644
- 2-(methylamino)-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311644
PubChem CID
Molecular Formula
C8H12N2O4 Molecular Weight
200.194 g/mol
Synonyms/Alias
[N-methyl-AMPA; BDBM81878]
InChI Key
ZMKBTZQKANQZSK-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O4/c1-4-5(7(11)10-14-4)3-6(9-2)8(12)13/h6,9H,3H2,1-2H3,(H,10,11)(H,12,13)
IUPAC Name
2-(methylamino)-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
CAS Number
127020-34-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 26 0 0 0 0 0 0 0 0999 V2000
-1.7517 1.7998 -0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7998 0.3089 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1616 -0.597...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 3
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
IC50: >10000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay (AMPA)
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
14
Rotatable Bonds
4
logP
-0.5086
Complexity
48.2532
TPSA (Ų)
95.33
H-Bond Donors
3
H-Bond Acceptors
4
Ring Count
1