Molecular Details
DICL_CP_0327964
- N-[3-(dimethylamino)propyl]-N-methyl-1,3-benzodioxole-5-sulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0327964
PubChem CID
Molecular Formula
C13H20N2O4S Molecular Weight
300.38 g/mol
Synonyms/Alias
[CHEMBL4284571; BDBM50464379]
InChI Key
FUNKMAFUDZMJOQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H20N2O4S/c1-14(2)7-4-8-15(3)20(16,17)11-5-6-12-13(9-11)19-10-18-12/h5-6,9H,4,7-8,10H2,1-...
IUPAC Name
N-[3-(dimethylamino)propyl]-N-methyl-1,3-benzodioxole-5-sulfonamide
CAS Number
P48167
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
20 21 0 0 0 0 0 0 0 0999 V2000
7.5372 -1.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4438 -0.3942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7863 1...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor subunit beta
Uniprot Accession Number
Function
Potentiator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: >20000 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
HEK293T cell (Homo sapiens embryonic kidney 293T cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
20
Rotatable Bonds
6
logP
0.9875
Complexity
75.5518
TPSA (Ų)
59.08
H-Bond Donors
0
H-Bond Acceptors
5
Ring Count
2