Molecular Details
DICL_CP_0315693
- 1-benzyl-4-phenyltriazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315693
PubChem CID
Molecular Formula
C15H13N3 Molecular Weight
235.29 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
GANAQXGHGKBVKP-UHFFFAOYSA-N
InChI
InChI=1S/C15H13N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h1-10,12H,11H2
IUPAC Name
1-benzyl-4-phenyltriazole
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
31 33 0 0 0 0 0 0 0 0999 V2000
-1.9096 -1.4702 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8504 -0.6310 0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0297 0.729...
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
10.0% ± 2.1 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
18
Rotatable Bonds
3
logP
2.9934
Complexity
71.002
TPSA (Ų)
30.71
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
3