Molecular Details
DICL_CP_0334354
- N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0334354
PubChem CID
Molecular Formula
C20H17FN2O Molecular Weight
320.367 g/mol
Synonyms/Alias
[CHEMBL1271415; BDBM50329214; PD189992; N-(3;5-dimethylphenyl)-5-(4-fluorophenyl)nicotinamide]
InChI Key
XJXXETPSJSPVGG-UHFFFAOYSA-N
InChI
InChI=1S/C20H17FN2O/c1-13-7-14(2)9-19(8-13)23-20(24)17-10-16(11-22-12-17)15-3-5-18(21)6-4-15/h3-12H,...
IUPAC Name
N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide
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
41 43 0 0 0 0 0 0 0 0999 V2000
5.9268 2.1665 1.9248 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9921 1.3850 1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4757 0.735...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 10 subunit alpha
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 1900 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
−40 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
24
Rotatable Bonds
3
logP
4.7568
Complexity
93.5002
TPSA (Ų)
41.99
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3