Molecular Details
DICL_CP_0319920
- 4-chloro-N-(6-chloropyridin-3-yl)benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319920
PubChem CID
Molecular Formula
C12H8Cl2N2O Molecular Weight
267.115 g/mol
Synonyms/Alias
[325457-99-6; 4-chloro-N-(6-chloropyridin-3-yl)benzamide; ICA 110381; ICA-110381; CHEMBL2046669; 4-Chloro-N-(6-chloro-pyridin-3-yl)-benzamide; ICA 11038; SCHEMBL5217440; GLXC-03897; BCP32590; BDBM5042...
InChI Key
FOYOGIUAMYSVIT-UHFFFAOYSA-N
InChI
InChI=1S/C12H8Cl2N2O/c13-9-3-1-8(2-4-9)12(17)16-10-5-6-11(14)15-7-10/h1-7H,(H,16,17)
IUPAC Name
4-chloro-N-(6-chloropyridin-3-yl)benzamide
CAS Number
325457-99-6
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
2.7880 -0.9070 -0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1043 -0.8489 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4475 0.042...
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: >100000 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
17
Rotatable Bonds
2
logP
3.6407
Complexity
68.6522
TPSA (Ų)
41.99
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2