Molecular Details
DICL_CP_0355687
- N-[(1S,2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]benzenesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0355687
PubChem CID
Molecular Formula
C21H26N2O2S Molecular Weight
370.518 g/mol
Synonyms/Alias
[CHEMBL4851134; BDBM50569855]
InChI Key
UHOANONOOFZNKU-SFTDATJTSA-N
InChI
InChI=1S/C21H26N2O2S/c24-26(25,19-10-2-1-3-11-19)22-20-12-6-7-13-21(20)23-15-14-17-8-4-5-9-18(17)16-...
IUPAC Name
N-[(1S,2S)-2-(3,4-dihydro-1H-isoquinolin-2-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
52 55 0 0 0 0 0 0 0 0999 V2000
0.1965 -0.3775 3.4378 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0802 -1.6367 3.3632 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7693 -2.516...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential channel mucolipin 2
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 9500 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
26
Rotatable Bonds
4
logP
3.3344
Complexity
103.3635
TPSA (Ų)
49.41
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
4