Molecular Details
DICL_CP_0310672
- (2S)-2-amino-3-(4-oxo-1,2,5-thiadiazol-3-yl)propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310672
PubChem CID
Molecular Formula
C5H7N3O3S Molecular Weight
189.196 g/mol
Synonyms/Alias
[CHEMBL429594; (2s)-2-Amino-3-(4-Hydroxy-1;2;5-Thiadiazol-3-Yl)propanoic Acid; BDBM50373890; 3-(4-hydroxy-1;2;5-thiadiazol-3-yl)-L-alanine; Q27465224; S2P]
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
-0.0452 -1.1154 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2035 -0.2934 -0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6310 0.093...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor 3
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 160 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
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
12
Rotatable Bonds
3
logP
-1.2142
Complexity
42.0499
TPSA (Ų)
109.07
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
1