Molecular Details
DICL_CP_0332358
- 2-fluoro-N-(2-methoxypyridin-4-yl)-4-(trifluoromethyl)benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0332358
PubChem CID
Molecular Formula
C14H10F4N2O2 Molecular Weight
314.238 g/mol
Synonyms/Alias
['2-fluoro-N-(2-methoxy-4-pyridyl)-4-(trifluoromethyl)benzamide', 'SCHEMBL15901600', 'BDBM464410', 'US10787472, Compound 15a', '2-fluoro-N-(2-methoxypyridi...
InChI Key
NAERTZQPGUWZOO-UHFFFAOYSA-N
InChI
InChI=1S/C14H10F4N2O2/c1-22-12-7-9(4-5-19-12)20-13(21)10-3-2-8(6-11(10)15)14(16,17)18/h2-7H,1H3,(H,1...
IUPAC Name
2-fluoro-N-(2-methoxypyridin-4-yl)-4-(trifluoromethyl)benzamide
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
22 23 0 0 0 0 0 0 0 0999 V2000
-7.0734 -1.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5756 -1.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8958 -0...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 10 subunit alpha
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 44 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
−60 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
dorsal root ganglion neuron
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
using the compositions in the treatment of various disorders, including pain
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US10787472
Computed Properties
Heavy Atom Count
22
Rotatable Bonds
3
logP
3.5004
Complexity
70.1442
TPSA (Ų)
51.22
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2