Molecular Details
DICL_CP_0310982
- N-(2,4,6-trimethylphenyl)propanamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310982
PubChem CID
Molecular Formula
C12H17NO Molecular Weight
191.274 g/mol
Synonyms/Alias
[SCHEMBL12883186; AKOS001215356; NCGC00335055-01; VU0447119-1; AB01328085-02; Z28130504]
InChI Key
AQBZEZFDJWSZLE-UHFFFAOYSA-N
InChI
InChI=1S/C12H17NO/c1-5-11(14)13-12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3,(H,13,14)
IUPAC Name
N-(2,4,6-trimethylphenyl)propanamide
CAS Number
736994-63-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
14 14 0 0 0 0 0 0 0 0999 V2000
-4.9331 0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7658 -0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3664 -0...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 4
Uniprot Accession Number
Function
Opener
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
79% inhibition at 30 μM
Experimental Conditions
pH
pH 7.4
Holding Potential
−90 mV mV
Temperature
22−23 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
2
logP
2.9604
Complexity
59.5737
TPSA (Ų)
29.1
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
1