Molecular Details
DICL_CP_0335239
- N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0335239
PubChem CID
Molecular Formula
C19H15ClN2O Molecular Weight
322.795 g/mol
Synonyms/Alias
[N-benzyl-5-(4-chlorophenyl)nicotinamide; CHEMBL1271417; BDBM50329212]
InChI Key
FWHXSLFSGPLDBM-UHFFFAOYSA-N
InChI
InChI=1S/C19H15ClN2O/c20-18-8-6-15(7-9-18)16-10-17(13-21-12-16)19(23)22-11-14-4-2-1-3-5-14/h1-10,12-...
IUPAC Name
N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide
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
38 40 0 0 0 0 0 0 0 0999 V2000
5.1458 1.5869 1.2164 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9440 1.4097 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3788 0.223...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 10 subunit alpha
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 620 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
−40 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
4
logP
4.332
Complexity
92.2952
TPSA (Ų)
41.99
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3