Molecular Details
DICL_CP_0309609
- 5-(tetrazol-1-yl)pyrazine-2-carbaldehyde
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309609
PubChem CID
Molecular Formula
C6H4N6O Molecular Weight
176.139 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
SFICOYJMWISGHT-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N6O/c13-3-5-1-8-6(2-7-5)12-4-9-10-11-12/h1-4H
IUPAC Name
5-(tetrazol-1-yl)pyrazine-2-carbaldehyde
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
13 14 0 0 0 0 0 0 0 0999 V2000
-4.9432 0.8785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1101 -0.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6133 -0...
Experimental Data
Activity Data
Target Ion Channel
ATP-sensitive inward rectifier potassium channel 1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 350 nM
EC50
N/A (Not available)
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
37°C
Test Method
Thallium Flux Assay
Test Species
HEK293 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US9718808
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
2
logP
-0.7352
Complexity
40.1315
TPSA (Ų)
86.45
H-Bond Donors
0
H-Bond Acceptors
7
Ring Count
2