Molecular Details
DICL_CP_0373826
- 5-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0373826
PubChem CID
Molecular Formula
C19H18FN3O4S Molecular Weight
403.435 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
MJVGZACAADGCBZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H18FN3O4S/c1-2-26-16-5-3-4-6-17(16)28(24,25)23-11-14(12-23)19-21-18(22-27-19)13-7-9-15(2...
IUPAC Name
5-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]-3-(4-fluorophenyl)-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
28 31 0 0 0 0 0 0 0 0999 V2000
-6.0551 -3.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4173 -2.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3378 -1...
Experimental Data
Activity Data
Target Ion Channel
Potassium channel subfamily T member 2
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: 2300 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
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
28
Rotatable Bonds
6
logP
3.0625
Complexity
98.8028
TPSA (Ų)
85.53
H-Bond Donors
0
H-Bond Acceptors
6
Ring Count
4