Molecular Details
DICL_CP_0320090
- 3-chloro-N-(2-chloropyrimidin-5-yl)benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320090
PubChem CID
Molecular Formula
C11H7Cl2N3O Molecular Weight
268.103 g/mol
Synonyms/Alias
[CHEMBL2047522; SCHEMBL5345894; BDBM50420087]
InChI Key
JBAZNRUHVZSKCH-UHFFFAOYSA-N
InChI
InChI=1S/C11H7Cl2N3O/c12-8-3-1-2-7(4-8)10(17)16-9-5-14-11(13)15-6-9/h1-6H,(H,16,17)
IUPAC Name
3-chloro-N-(2-chloropyrimidin-5-yl)benzamide
CAS Number
66427-85-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 25 0 0 0 0 0 0 0 0999 V2000
-3.4125 -0.9191 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0347 -0.6905 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5151 0.298...
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: 78000 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
3.0357
Complexity
66.4472
TPSA (Ų)
54.88
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2