Molecular Details
DICL_CP_0315175
- 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315175
PubChem CID
Molecular Formula
C12H12N2O3 Molecular Weight
232.239 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
DDBREPKUVSBGFI-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17...
IUPAC Name
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
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
29 30 0 0 0 0 0 0 0 0999 V2000
-0.2647 2.7141 0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1382 1.7923 -0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9067 0.257...
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: >10000 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
23 ℃
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
2
logP
0.7004
Complexity
60.0924
TPSA (Ų)
75.27
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
2