Molecular Details
DICL_CP_0315787
- 5-(4-phenoxyphenyl)-1H-pyrazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315787
PubChem CID
Molecular Formula
C15H12N2O Molecular Weight
236.274 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
SGQSMRQYEPPNIA-UHFFFAOYSA-N
InChI
InChI=1S/C15H12N2O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)15-10-11-16-17-15/h1-11H,(H,16,17)
IUPAC Name
5-(4-phenoxyphenyl)-1H-pyrazole
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
30 32 0 0 0 0 0 0 0 0999 V2000
-1.7839 -1.5475 0.1547 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9324 -0.7433 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9720 0.460...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 4 subunit alpha
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 240 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Extracellular solution pH 7.4/Intracellular solution pH 7.3
Holding Potential
−120 mV mV
Temperature
37 °C
Test Method
Patch-clamping
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
18
Rotatable Bonds
3
logP
3.869
Complexity
70.5397
TPSA (Ų)
37.91
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3