Molecular Details
DICL_CP_0309555
- 6-(tetrazol-1-yl)pyridine-3-carbaldehyde
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309555
PubChem CID
Molecular Formula
C7H5N5O Molecular Weight
175.151 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
RYDGNVCYWURARU-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N5O/c13-4-6-1-2-7(8-3-6)12-5-9-10-11-12/h1-5H
IUPAC Name
6-(tetrazol-1-yl)pyridine-3-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: 44 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
-0.1302
Complexity
42.3365
TPSA (Ų)
73.56
H-Bond Donors
0
H-Bond Acceptors
6
Ring Count
2