Molecular Details
DICL_CP_0346229
- N-butyl-N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0346229
PubChem CID
Molecular Formula
C18H26N2O3S Molecular Weight
350.484 g/mol
Synonyms/Alias
[IKs124; 199335-15-4; N-butyl-N-(6-cyano-2;2-dimethylchroman-4-yl)ethanesulfonamide; N-butyl-N-(6-cyano-2;2-dimethyl-3;4-dihydrochromen-4-yl)ethanesulfonamide; GTPL2591; SCHEMBL6559311; AKOS040748567;...
InChI Key
VTICUGOJGKDYJD-UHFFFAOYSA-N
InChI
InChI=1S/C18H26N2O3S/c1-5-7-10-20(24(21,22)6-2)16-12-18(3,4)23-17-9-8-14(13-19)11-15(16)17/h8-9,11,1...
IUPAC Name
N-butyl-N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CAS Number
199335-15-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 25 0 0 0 0 0 0 0 0999 V2000
-6.4992 0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2139 0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9015 0...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily E member 3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 440 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 7.2 to 7.4
Holding Potential
−50 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
COS cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
24
Rotatable Bonds
6
logP
3.6123
Complexity
94.2968
TPSA (Ų)
70.4
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
2