Molecular Details
DICL_CP_0307813
- 2-(methylamino)butanedioic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307813
PubChem CID
Molecular Formula
C5H9NO4 Molecular Weight
147.13 g/mol
Synonyms/Alias
[N-Methyl-DL-aspartic acid; 17833-53-3; 2-(Methylamino)succinic acid; 2-(methylamino)butanedioic acid; EU52DFC4WJ; N-Methyl-l-aspartic acid HCl; CHEMBL275325; N-Me-Asp-OH; n-methyl-dl-aspartate; DL-As...
InChI Key
HOKKHZGPKSLGJE-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)
IUPAC Name
2-(methylamino)butanedioic acid
CAS Number
89-00-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
19 18 0 0 0 0 0 0 0 0999 V2000
-1.6273 1.2198 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4961 1.0196 0.1683 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0913 -0.397...
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: >10000 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
-0.8663
Complexity
32.7363
TPSA (Ų)
86.63
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0