Molecular Details
DICL_CP_0310668
- (2S)-2-amino-3-(4-oxo-1,2,5-thiadiazol-3-yl)propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310668
PubChem CID
N/A (Not available)
Molecular Formula
C5H7N3O3S Molecular Weight
189.196 g/mol
Synonyms/Alias
(S)-TDPA
InChI Key
SEVVPWOEIHLQGH-REOHCLBHSA-N
InChI
InChI=1S/C5H7N3O3S/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m0/s1
IUPAC Name
(2S)-2-amino-3-(4-oxo-1,2,5-thiadiazol-3-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
19 19 0 0 0 0 0 0 0 0999 V2000
1.9776 0.2651 1.5792 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1365 -0.4535 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1358 -1.365...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 1
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 65 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
0-4°C
Test Method
Binding assay ([3H] AMPA)
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
12
Rotatable Bonds
3
logP
-0.8019
Complexity
40.889
TPSA (Ų)
109.33
H-Bond Donors
3
H-Bond Acceptors
6
Ring Count
1