Molecular Details
DICL_CP_0337354
- 1-benzyl-N-methylsulfonylindole-5-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0337354
PubChem CID
Molecular Formula
C17H16N2O3S Molecular Weight
328.393 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
LUBDJZXEHPPMEC-UHFFFAOYSA-N
InChI
InChI=1S/C17H16N2O3S/c1-23(21,22)18-17(20)15-7-8-16-14(11-15)9-10-19(16)12-13-5-3-2-4-6-13/h2-11H,12...
IUPAC Name
1-benzyl-N-methylsulfonylindole-5-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
39 41 0 0 0 0 0 0 0 0999 V2000
7.0519 0.2727 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8409 -1.0295 0.6134 S 0 0 0 0 0 0 0 0 0 0 0 0
5.6935 -1.593...
Experimental Data
Activity Data
Target Ion Channel
Sodium voltage-gated channel alpha subunit 9
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: >10000 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 7.27
Holding Potential
−100 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
23
Rotatable Bonds
4
logP
2.379
Complexity
89.792
TPSA (Ų)
68.17
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3