Molecular Details
DICL_CP_0314029
- 1,4-diphenyltriazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314029
PubChem CID
N/A (Not available)
Molecular Formula
C14H11N3 Molecular Weight
221.263 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
UIXYUQXWIFEYBN-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N3/c1-3-7-12(8-4-1)14-11-17(16-15-14)13-9-5-2-6-10-13/h1-11H
IUPAC Name
1,4-diphenyltriazole
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
28 30 0 0 0 0 0 0 0 0999 V2000
-1.1005 -0.5041 0.3840 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4955 -0.2333 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4818 -1.106...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 8 subunit alpha
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
6.2 ± 1.6 at 10 µM
Experimental Conditions
pH
pH 7.4
Holding Potential
−100 to 10 mV mV
Temperature
20-22 ℃
Test Method
Patch-clamping
Test Species
Human Embryonic Kidney (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
17
Rotatable Bonds
2
logP
2.9343
Complexity
66.795
TPSA (Ų)
30.71
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
3