Molecular Details
DICL_CP_0335867
- N-[(4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0335867
PubChem CID
Molecular Formula
C15H20N2O4S Molecular Weight
324.402 g/mol
Synonyms/Alias
InChI Key
HVSJHHXUORMCGK-KWCCSABGSA-N
InChI
InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,...
IUPAC Name
N-[(4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
CAS Number
163163-23-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
42 43 0 0 0 0 0 0 0 0999 V2000
4.1788 -0.6325 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5696 0.0466 -0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5419 1.424...
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: 1000 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
22
Rotatable Bonds
3
logP
1.4128
Complexity
81.8356
TPSA (Ų)
90.63
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
2