Molecular Details
DICL_CP_0316404
- (2S,4R,5R)-5-hydroxy-4-sulfooxypiperidine-2-carboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316404
PubChem CID
Molecular Formula
C6H11NO7S Molecular Weight
241.221 g/mol
Synonyms/Alias
[cribronic acid; CHEMBL507082; (2s;4r;5r)-5-hydroxy-4-sulfooxy-piperidine2-carboxylic acid; (2S;4R;5R)-5-hydroxy-4-sulfooxypiperidine-2-carboxylic acid]
InChI Key
VGWGHJSLZPTLLA-VPENINKCSA-N
InChI
InChI=1S/C6H11NO7S/c8-4-2-7-3(6(9)10)1-5(4)14-15(11,12)13/h3-5,7-8H,1-2H2,(H,9,10)(H,11,12,13)/t3-,4...
IUPAC Name
(2S,4R,5R)-5-hydroxy-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
26 26 0 0 0 0 0 0 0 0999 V2000
-0.0362 0.5359 0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 -0.3781 -0.0675 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0969 -1.760...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor NMDA
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
IC50: 83 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
15
Rotatable Bonds
3
logP
-2.0182
Complexity
46.4719
TPSA (Ų)
133.16
H-Bond Donors
4
H-Bond Acceptors
6
Ring Count
1