Molecular Details
DICL_CP_0311795
- 2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311795
PubChem CID
Molecular Formula
C7H11N3O4 Molecular Weight
201.182 g/mol
Synonyms/Alias
[CHEMBL1098104; BDBM50318266; (+)-2-Amino-5-(4-hydroxy-1;2;5-oxadiazol-3-yl)pentanoicAcid; 2-AMINO-5-(4-HYDROXY-1;2;5-OXADIAZOL-3-YL)PENTANOIC ACID (STRUCTURAL MIX)]
InChI Key
JYPYAECWCSLQCE-UHFFFAOYSA-N
InChI
InChI=1S/C7H11N3O4/c8-4(7(12)13)2-1-3-5-6(11)10-14-9-5/h4H,1-3,8H2,(H,10,11)(H,12,13)
IUPAC Name
2-amino-5-(4-oxo-1,2,5-oxadiazol-3-yl)pentanoic 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
14 14 0 0 0 0 0 0 0 0999 V2000
-0.1718 -0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9777 -1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3870 -0...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit kainate 3
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >1000000 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
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
5
logP
-0.9025
Complexity
45.6729
TPSA (Ų)
122.21
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
1