Molecular Details
DICL_CP_0318827
- N-(6-cyanopyridin-3-yl)-3,4-difluorobenzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0318827
PubChem CID
Molecular Formula
C13H7F2N3O Molecular Weight
259.215 g/mol
Synonyms/Alias
[CHEMBL2046663; BDBM50420046]
InChI Key
AOGBCHVRZBXENL-UHFFFAOYSA-N
InChI
InChI=1S/C13H7F2N3O/c14-11-4-1-8(5-12(11)15)13(19)18-10-3-2-9(6-16)17-7-10/h1-5,7H,(H,18,19)
IUPAC Name
N-(6-cyanopyridin-3-yl)-3,4-difluorobenzamide
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
26 27 0 0 0 0 0 0 0 0999 V2000
3.0865 0.9105 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2484 0.4136 1.6253 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3031 -0.914...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 2/3
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 10000 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
19
Rotatable Bonds
2
logP
2.4838
Complexity
63.2632
TPSA (Ų)
65.78
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2