Molecular Details
DICL_CP_0346500
- (S)-N-(2,2-dimethyl-6-(trifluoromethyl)chroman-4-yl)-N-methylethanesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0346500
PubChem CID
N/A (Not available)
Molecular Formula
C15H20F3NO3S Molecular Weight
351.39 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
LVDIXBVSALWKET-LBPRGKRZSA-N
InChI
InChI=1S/C15H20F3NO3S/c1-5-23(20,21)19(4)12-9-14(2,3)22-13-7-6-10(8-11(12)13)15(16,17)18/h6-8,12H,5,...
IUPAC Name
(S)-N-(2,2-dimethyl-6-(trifluoromethyl)chroman-4-yl)-N-methylethanesulfonamide
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
43 44 0 0 0 0 0 0 0 0999 V2000
-1.0952 3.3624 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9090 2.2465 -0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3957 2.867...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 1/E member 1
Uniprot Accession Number
Function
Blocker
Species
Mus musculus (Mouse)
IC50
IC50: 14 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
−60 mV mV
Temperature
37 °C
Test Method
Patch-clamping
Test Species
Not specified
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
3
logP
3.5891
Complexity
80.7328
TPSA (Ų)
46.61
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
2