Molecular Details
DICL_CP_0320262
- N-(6-chloropyridin-3-yl)-3,4-difluorobenzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320262
PubChem CID
Molecular Formula
C12H7ClF2N2O Molecular Weight
268.65 g/mol
Synonyms/Alias
[325457-89-4; N-(6-chloropyridin-3-yl)-3;4-difluorobenzamide; ICA-27243; Benzamide; N-(6-chloro-3-pyridinyl)-3;4-difluoro-; CHEMBL402146; ZTZ233; VU7278D853; ICA27243; ICA 27243; UNII-VU7278D853; C12H...
InChI Key
GDGUOCFTHNGPBK-UHFFFAOYSA-N
InChI
InChI=1S/C12H7ClF2N2O/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-9(14)10(15)5-7/h1-6H,(H,17,18)
IUPAC Name
N-(6-chloropyridin-3-yl)-3,4-difluorobenzamide
CAS Number
325457-89-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 26 0 0 0 0 0 0 0 0999 V2000
-2.3798 0.8620 0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7554 0.8339 0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5041 -0.302...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 1
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
IC50: 22000 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
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
3.2655
Complexity
63.5582
TPSA (Ų)
41.99
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2