Molecular Details
DICL_CP_0347617
- 2-(benzo[b]thiophen-3-yl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0347617
PubChem CID
N/A (Not available)
Molecular Formula
C20H23N3OS Molecular Weight
353.491 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
JHILQXBJSKHCMY-UHFFFAOYSA-N
InChI
InChI=1S/C20H23N3OS/c1-14-11-19(23(22-14)16-7-3-2-4-8-16)21-20(24)12-15-13-25-18-10-6-5-9-17(15)18/h...
IUPAC Name
2-(benzo[b]thiophen-3-yl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
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
25 28 0 0 0 0 0 0 0 0999 V2000
-3.9314 4.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5087 2.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4246 1...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 10
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 13000 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 7.2
Holding Potential
Not specified
Temperature
37 °C
Test Method
Flux assay (Thallium ion)
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
25
Rotatable Bonds
4
logP
5.0926
Complexity
103.2447
TPSA (Ų)
46.92
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
4