Molecular Details
DICL_CP_0310643
- (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310643
PubChem CID
Molecular Formula
C5H7N3O5 Molecular Weight
189.127 g/mol
Synonyms/Alias
[QUISQUALIC ACID; Quisqualate; 52809-07-1; L-Quisqualic acid; (+)-Quisqualic acid; Quisqualinic acid; (2S)-2-amino-3-(3;5-dioxo-1;2;4-oxadiazolidin-2-yl)propanoic acid; CHEBI:8734; CHEMBL168279; CHEMB...
InChI Key
ASNFTDCKZKHJSW-REOHCLBHSA-N
InChI
InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
IUPAC Name
(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
CAS Number
52809-07-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
20 20 0 0 0 0 0 0 0 0999 V2000
0.3390 -0.8655 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1489 0.2597 0.5291 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6162 -0.077...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit kainate 4
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 6.43 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
Not specified
Temperature
5 °C
Test Method
Binding assay ([3H] Kainate)
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
3
logP
-2.4585
Complexity
39.1999
TPSA (Ų)
131.32
H-Bond Donors
3
H-Bond Acceptors
6
Ring Count
1