Molecular Details
DICL_CP_0310492
- (+)-2-amino-4-(4-oxo-1,2,5-oxadiazol-3-yl)butanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310492
PubChem CID
Molecular Formula
C6H9N3O4 Molecular Weight
187.155 g/mol
Synonyms/Alias
[CHEMBL1098101; BDBM50318265; (+)-2-Amino-4-(4-hydroxy-1;2;5-oxadiazol-3-yl)butanoicAcid; 2-AMINO-4-(4-HYDROXY-1;2;5-OXADIAZOL-3-YL)BUTANOIC ACID (STRUCTURAL MIX)]
InChI Key
NIIZJWKMASWSHZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3O4/c7-3(6(11)12)1-2-4-5(10)9-13-8-4/h3H,1-2,7H2,(H,9,10)(H,11,12)
IUPAC Name
(+)-2-amino-4-(4-oxo-1,2,5-oxadiazol-3-yl)butanoic acid
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
13 13 0 0 0 0 0 0 0 0999 V2000
0.3612 -1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7763 -0.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1919 -0...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1/2A
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 1024000 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
Influx Assay (Calcium ion)
Test Species
BHK-21 cells
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
4
logP
-1.2926
Complexity
41.0559
TPSA (Ų)
122.21
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
1