Molecular Details
DICL_CP_0337853
- (E)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-chlorophenyl)prop-2-enamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0337853
PubChem CID
Molecular Formula
C18H16ClNO3 Molecular Weight
329.783 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
FVULDXTVYUQILH-CRALRDPISA-N
InChI
InChI=1S/C18H16ClNO3/c1-12(14-6-8-16-17(10-14)23-11-22-16)20-18(21)9-7-13-4-2-3-5-15(13)19/h2-10,12H...
IUPAC Name
(E)-N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-chlorophenyl)prop-2-enamide
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
23 25 0 0 0 0 0 0 0 0999 V2000
-1.4326 -3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5795 -1.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3602 -0...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 2
Uniprot Accession Number
Function
Opener
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: 20 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−40 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK 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
23
Rotatable Bonds
4
logP
3.9593
Complexity
89.6087
TPSA (Ų)
47.56
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
3