Molecular Details
DICL_CP_0334566
- 2-[(4-chlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-134-thiadiazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0334566
PubChem CID
Molecular Formula
C13H9ClN4S2 Molecular Weight
320.83 g/mol
Synonyms/Alias
[CHEMBL2158654; BDBM50394092]
InChI Key
VUPIKGBTRLOJMJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClN4S2/c14-10-3-1-9(2-4-10)8-19-13-18-17-12(20-13)11-7-15-5-6-16-11/h1-7H,8H2
IUPAC Name
2-[(4-chlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-134-thiadiazole
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
-3.3156 0.3105 -2.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5799 0.2633 -2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6850 -0.180...
Experimental Data
Activity Data
Target Ion Channel
Piezo1
Uniprot Accession Number
Function
Inactive
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Flux assay (Thallium ion)
Test Species
HEK293 cell (Homo sapiens embryonic kidney 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
20
Rotatable Bonds
4
logP
3.9408
Complexity
81.948
TPSA (Ų)
51.56
H-Bond Donors
0
H-Bond Acceptors
6
Ring Count
3