Molecular Details
DICL_CP_0309399
- (+)-2-amino-3-(4-oxo-1,2,5-oxadiazol-3-yl)propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309399
PubChem CID
Molecular Formula
C5H7N3O4 Molecular Weight
173.128 g/mol
Synonyms/Alias
[CHEMBL1094129; BDBM50318264; PD180290; (+)-2-Amino-3-(4-hydroxy-1;2;5-oxadiazol-3-yl)propionicAcid; 2-AMINO-3-(4-HYDROXY-1;2;5-OXADIAZOL-3-YL)PROPIONIC ACID (STRUCTURAL MIX)]
InChI Key
LSAPTLMISILBOS-UHFFFAOYSA-N
InChI
InChI=1S/C5H7N3O4/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)
IUPAC Name
(+)-2-amino-3-(4-oxo-1,2,5-oxadiazol-3-yl)propanoic 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
12 12 0 0 0 0 0 0 0 0999 V2000
-0.3395 -0.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1160 -0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2649 -1...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 2
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 9400 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−15 to 20 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Xenopus oocytes
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
12
Rotatable Bonds
3
logP
-1.6827
Complexity
36.4389
TPSA (Ų)
122.21
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
1