Molecular Details
DICL_CP_0309010
- piperidine-4-sulfonic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309010
PubChem CID
Molecular Formula
C5H11NO3S Molecular Weight
165.214 g/mol
Synonyms/Alias
[piperidine-4-sulfonic acid; 72450-62-5; Piperidine-4-sulphonic acid; 4-Piperidinesulfonic acid; P4S; 2M8K8ZJJ5U; CHEMBL34155; MFCD00055097; Lopac-P-9159; UNII-2M8K8ZJJ5U; Lopac0_001024; MLS000069699;...
InChI Key
UGBJGGRINDTHIH-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)
IUPAC Name
piperidine-4-sulfonic acid
CAS Number
72450-62-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 21 0 0 0 0 0 0 0 0999 V2000
-0.0378 -1.1790 0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5332 -1.2452 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2201 -0.041...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2s
Uniprot Accession Number
Function
Agonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: 11700 nM
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
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
L(tk-) cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
GABA site
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
1
logP
-0.3738
Complexity
37.4403
TPSA (Ų)
66.4
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
1