Molecular Details
DICL_CP_0332478
- N-methylsulfonyl-1-phenylindole-5-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0332478
PubChem CID
Molecular Formula
C16H14N2O3S Molecular Weight
314.366 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
KXMNTAAQVMYDJJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H14N2O3S/c1-22(20,21)17-16(19)13-7-8-15-12(11-13)9-10-18(15)14-5-3-2-4-6-14/h2-11H,1H3,(...
IUPAC Name
N-methylsulfonyl-1-phenylindole-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
36 38 0 0 0 0 0 0 0 0999 V2000
6.2144 0.7171 0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6076 -0.9544 0.9240 S 0 0 0 0 0 0 0 0 0 0 0 0
6.2261 -1.761...
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
22
Rotatable Bonds
3
logP
2.3199
Complexity
85.585
TPSA (Ų)
68.17
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3