Molecular Details
DICL_CP_0315791
- benzo[b][1]benzazepine-11-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315791
PubChem CID
Molecular Formula
C15H12N2O Molecular Weight
236.274 g/mol
Synonyms/Alias
[carbamazepine; 298-46-4; Tegretol; Carbamazepen; Biston; Finlepsin; Equetro; Tegretal; 5H-Dibenzo[b;f]azepine-5-carboxamide; 5H-Dibenz[b;f]azepine-5-carboxamide; Carbazepine; Timonil; Carbamezepine; ...
InChI Key
FFGPTBGBLSHEPO-UHFFFAOYSA-N
InChI
InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
IUPAC Name
benzo[b][1]benzazepine-11-carboxamide
CAS Number
298-46-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
30 32 0 0 0 0 0 0 0 0999 V2000
3.5523 0.9105 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3497 -0.4672 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1457 -1.021...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 8 subunit alpha
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 77490 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
70 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Not specified
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
0
logP
3.3872
Complexity
73.5344
TPSA (Ų)
46.33
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
3