Molecular Details
DICL_CP_0367125
- 5-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0367125
PubChem CID
Molecular Formula
C17H17N3O4S2 Molecular Weight
391.474 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
UYJLDNIBTMAYRB-UHFFFAOYSA-N
InChI
InChI=1S/C17H17N3O4S2/c1-2-23-14-5-3-4-6-15(14)26(21,22)20-9-13(10-20)17-18-16(19-24-17)12-7-8-25-11...
IUPAC Name
5-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
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
26 29 0 0 0 0 0 0 0 0999 V2000
-5.2316 -4.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6438 -2.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6009 -1...
Experimental Data
Activity Data
Target Ion Channel
Maxi-K (Slo1 α1/β3)
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
inactive
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Flux assay (Thallium ion)
Test Species
HEK-293 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
26
Rotatable Bonds
6
logP
2.9849
Complexity
96.7218
TPSA (Ų)
85.53
H-Bond Donors
0
H-Bond Acceptors
7
Ring Count
4