Molecular Details
DICL_CP_0317338
- 4-phenyl-1-(2-phenylethyl)triazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317338
PubChem CID
N/A (Not available)
Molecular Formula
C16H15N3 Molecular Weight
249.317 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
MKMCNZRTIHGUDX-UHFFFAOYSA-N
InChI
InChI=1S/C16H15N3/c1-3-7-14(8-4-1)11-12-19-13-16(17-18-19)15-9-5-2-6-10-15/h1-10,13H,11-12H2
IUPAC Name
4-phenyl-1-(2-phenylethyl)triazole
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
34 36 0 0 0 0 0 0 0 0999 V2000
-0.1533 -0.0409 -1.0537 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2540 -0.3977 -0.9143 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9596 0.598...
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
11.5 ± 1.5 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
19
Rotatable Bonds
4
logP
3.1878
Complexity
75.604
TPSA (Ų)
30.71
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
3