Molecular Details
DICL_CP_0335234
- 2-((2-chloro-6-fluorobenzyl)thio)-5-(pyrazin-2-yl)-1,3,4-oxadiazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0335234
PubChem CID
N/A (Not available)
Molecular Formula
C13H8ClFN4OS Molecular Weight
322.752 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
AOVPGFFNZSJULV-UHFFFAOYSA-N
InChI
InChI=1S/C13H8ClFN4OS/c14-9-2-1-3-10(15)8(9)7-21-13-19-18-12(20-13)11-6-16-4-5-17-11/h1-6H,7H2
IUPAC Name
2-((2-chloro-6-fluorobenzyl)thio)-5-(pyrazin-2-yl)-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
29 31 0 0 0 0 0 0 0 0999 V2000
-4.0078 2.3793 -1.4009 F 0 0 0 0 0 0 0 0 0 0 0 0
-3.7100 1.3726 -0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6415 0.349...
Experimental Data
Activity Data
Target Ion Channel
Piezo1
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 1090 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
21
Rotatable Bonds
4
logP
3.6114
Complexity
76.295
TPSA (Ų)
64.7
H-Bond Donors
0
H-Bond Acceptors
6
Ring Count
3