Molecular Details
DICL_CP_0340996
- N-[(1S,2S)-2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0340996
PubChem CID
Molecular Formula
C17H27N3O2S Molecular Weight
337.489 g/mol
Synonyms/Alias
[CHEMBL4856325; BDBM50569852]
InChI Key
ZVYXEYXGYWDUEV-IRXDYDNUSA-N
InChI
InChI=1S/C17H27N3O2S/c1-19-11-13-20(14-12-19)17-10-6-5-9-16(17)18-23(21,22)15-7-3-2-4-8-15/h2-4,7-8,...
IUPAC Name
N-[(1S,2S)-2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CAS Number
891016-02-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
50 52 0 0 0 0 0 0 0 0999 V2000
-3.5402 2.2831 -0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8883 1.0744 -1.4590 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7682 0.612...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential channel mucolipin 2
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 53300 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 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
4
logP
1.5235
Complexity
91.8775
TPSA (Ų)
52.65
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3