Molecular Details
DICL_CP_0371175
- N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0371175
PubChem CID
Molecular Formula
C23H30N2O2S Molecular Weight
398.572 g/mol
Synonyms/Alias
[CHEMBL4874310; BDBM50569854]
InChI Key
WHCSPEJJPAHNND-GOTSBHOMSA-N
InChI
InChI=1S/C23H30N2O2S/c26-28(27,21-11-5-2-6-12-21)24-22-13-7-8-14-23(22)25-17-15-20(16-18-25)19-9-3-1...
IUPAC Name
N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide
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
58 61 0 0 0 0 0 0 0 0999 V2000
1.9733 -4.0690 -1.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4489 -4.1805 -1.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1811 -2.802...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential channel mucolipin 2
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 8900 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
28
Rotatable Bonds
5
logP
4.1557
Complexity
112.7975
TPSA (Ų)
49.41
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
4