Molecular Details
DICL_CP_0321212
- 2-benzhydrylsulfinylacetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0321212
PubChem CID
Molecular Formula
C15H15NO2S Molecular Weight
273.357 g/mol
Synonyms/Alias
[modafinil; 68693-11-8; Provigil; Modiodal; 2-[(diphenylmethyl)sulfinyl]acetamide; 2-(Benzhydrylsulfinyl)acetamide; Modafinilum [Latin]; 2-benzhydrylsulfinylacetamide; modaphonil; Modafinilo [Spanish]...
InChI Key
YFGHCGITMMYXAQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
IUPAC Name
2-benzhydrylsulfinylacetamide
CAS Number
68693-11-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
34 35 0 0 0 0 0 0 0 0999 V2000
0.3678 3.4248 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0109 2.9191 -0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0636 1.538...
Experimental Data
Activity Data
Target Ion Channel
Intermediate conductance calcium activated potassium channel protein 4
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 6.8 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 7.4
Holding Potential
−100 to 100 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
mice muscle cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
5
logP
2.01
Complexity
76.9308
TPSA (Ų)
60.16
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2