Molecular Details
DICL_CP_0314451
- (2S,4S)-4-sulfooxypiperidine-2-carboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314451
PubChem CID
Molecular Formula
C6H11NO6S Molecular Weight
225.222 g/mol
Synonyms/Alias
[(2S;4S)-4-sulfooxypiperidine-2-carboxylic Acid; CHEMBL509090]
InChI Key
QYYTWKBQFWCKMW-WHFBIAKZSA-N
InChI
InChI=1S/C6H11NO6S/c8-6(9)5-3-4(1-2-7-5)13-14(10,11)12/h4-5,7H,1-3H2,(H,8,9)(H,10,11,12)/t4-,5-/m0/s...
IUPAC Name
(2S,4S)-4-sulfooxypiperidine-2-carboxylic 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
25 25 0 0 0 0 0 0 0 0999 V2000
-0.4238 -1.5162 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0025 -1.7004 0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9832 -1.375...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor NMDA
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
IC50: 214 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 7.7
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay ([3H] CGP-39653)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
3
logP
-0.989
Complexity
45.0821
TPSA (Ų)
112.93
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
1