Molecular Details
DICL_CP_0315486
- 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315486
PubChem CID
Molecular Formula
C14H22N2O Molecular Weight
234.343 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
NNJVILVZKWQKPM-UHFFFAOYSA-N
InChI
InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
IUPAC Name
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
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
39 39 0 0 0 0 0 0 0 0999 V2000
3.0887 -2.5481 0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0144 -1.7319 -0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0978 -0.270...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 1/2/3 subunit alpha
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: 240000 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
Not specified
Temperature
37 ℃
Test Method
Binding assay ([3H] BTX-B )
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
17
Rotatable Bonds
5
logP
2.5837
Complexity
72.3337
TPSA (Ų)
32.34
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
1