Molecular Details
DICL_CP_0311623
- (2S)-2-amino-3-(3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311623
PubChem CID
Molecular Formula
C6H8N4O4 Molecular Weight
200.154 g/mol
Synonyms/Alias
[CHEMBL122656; SCHEMBL9396137; BDBM50060634; (S)-2-Amino-3-(3;5-dioxo-4;5-dihydro-3H-[1;2;4]triazin-2-yl)-propionic acid]
InChI Key
YUUMCVSQULVXBC-VKHMYHEASA-N
InChI
InChI=1S/C6H8N4O4/c7-3(5(12)13)2-10-6(14)9-4(11)1-8-10/h1,3H,2,7H2,(H,12,13)(H,9,11,14)/t3-/m0/s1
IUPAC Name
(2S)-2-amino-3-(3,5-dioxo-1,2,4-triazin-2-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
22 22 0 0 0 0 0 0 0 0999 V2000
2.6255 -1.2129 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3426 -1.3747 0.0058 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6424 -0.369...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit kainate 5
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 1980 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
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
3
logP
-2.6565
Complexity
44.7289
TPSA (Ų)
131.07
H-Bond Donors
3
H-Bond Acceptors
6
Ring Count
1