Molecular Details
DICL_CP_0307710
- 2-aminopentanedioate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307710
PubChem CID
Molecular Formula
C5H7NO4-2 Molecular Weight
145.114 g/mol
Synonyms/Alias
[glutamate(2-); glutamate; glutamic acid dianion; 2-aminopentanedioate; 2-aminopentanedioateglutamate; CHEBI:29987; BDBM50013055; Q27110355]
InChI Key
WHUUTDBJXJRKMK-UHFFFAOYSA-L
InChI
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2
IUPAC Name
2-aminopentanedioate
CAS Number
2519850-13-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
17 16 0 0 0 0 0 0 0 0999 V2000
0.1722 -0.1122 -0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2945 0.6804 0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6239 0.308...
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: 18.3 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
10
Rotatable Bonds
4
logP
-3.4063
Complexity
27.2234
TPSA (Ų)
106.28
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
0