Molecular Details
DICL_CP_0312865
- 2-(pyridine-3-carbonylamino)ethyl nitrate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312865
PubChem CID
Molecular Formula
C8H9N3O4 Molecular Weight
211.177 g/mol
Synonyms/Alias
[NICORANDIL; 65141-46-0; Ikorel; 2-Nicotinamidoethyl nitrate; Sigmart; SG-75; Dancor; Nicorandilum; Adancor; 2-(pyridine-3-carbonylamino)ethyl nitrate; SG 75; 2-(nicotinamido)ethyl nitrate; N-(2-Hydro...
InChI Key
LBHIOVVIQHSOQN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)
IUPAC Name
2-(pyridine-3-carbonylamino)ethyl nitrate
CAS Number
65141-46-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 24 0 0 0 0 0 0 0 0999 V2000
-4.2895 -0.7570 -0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0153 -0.3651 -1.4092 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0040 -0.131...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1/2
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: >10000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−30 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
HEK293T cell (Homo sapiens embryonic kidney 293T cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
5
logP
0.0197
Complexity
49.5166
TPSA (Ų)
94.36
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
1