Molecular Details
DICL_CP_0317185
- 3,4-difluoro-N-(6-methylpyridin-3-yl)benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317185
PubChem CID
Molecular Formula
C13H10F2N2O Molecular Weight
248.232 g/mol
Synonyms/Alias
[CHEMBL2046475; SCHEMBL5213301; BDBM50420043]
InChI Key
FZUWJYYLDIKCHR-UHFFFAOYSA-N
InChI
InChI=1S/C13H10F2N2O/c1-8-2-4-10(7-16-8)17-13(18)9-3-5-11(14)12(15)6-9/h2-7H,1H3,(H,17,18)
IUPAC Name
3,4-difluoro-N-(6-methylpyridin-3-yl)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
28 29 0 0 0 0 0 0 0 0999 V2000
-5.5639 0.0598 -0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0912 -0.0660 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2362 0.807...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 2/3
Uniprot Accession Number
Function
Modulator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 6800 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Efflux Assay ([86] Rubidium Ion)
Test Species
CHO cell (Chinese Hamster Ovary 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
2
logP
2.9205
Complexity
63.2852
TPSA (Ų)
41.99
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2