Molecular Details
DICL_CP_0340367
- (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0340367
PubChem CID
Molecular Formula
C21H24N2O2 Molecular Weight
336.435 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
QMIMHUDEVKGOTQ-DVQDXYAYSA-N
InChI
InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-1...
IUPAC Name
(E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-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
25 27 0 0 0 0 0 0 0 0999 V2000
-2.4527 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8294 3.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3362 3...
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: 3200 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
−40 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
HEK 293 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
for the treatment of neuropathic pain
References
Computed Properties
Heavy Atom Count
25
Rotatable Bonds
5
logP
3.4138
Complexity
101.5077
TPSA (Ų)
41.57
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
3