Molecular Details
DICL_CP_0341126
- 2-(pyrazin-2-yl)-5-((2-(trifluoromethyl)benzyl)thio)-1,3,4-oxadiazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0341126
PubChem CID
N/A (Not available)
Molecular Formula
C14H9F3N4OS Molecular Weight
338.314 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
XXKWADMZJOSEAI-UHFFFAOYSA-N
InChI
InChI=1S/C14H9F3N4OS/c15-14(16,17)10-4-2-1-3-9(10)8-23-13-21-20-12(22-13)11-7-18-5-6-19-11/h1-7H,8H2
IUPAC Name
2-(pyrazin-2-yl)-5-((2-(trifluoromethyl)benzyl)thio)-1,3,4-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
32 34 0 0 0 0 0 0 0 0999 V2000
-3.8787 -2.1587 1.0926 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.9023 -1.2014 0.8741 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4885 0.084...
Experimental Data
Activity Data
Target Ion Channel
Piezo1
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 2060 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293A cell
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
4
logP
3.8377
Complexity
76.329
TPSA (Ų)
64.7
H-Bond Donors
0
H-Bond Acceptors
6
Ring Count
3