Molecular Details
DICL_CP_0327753
- 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0327753
PubChem CID
Molecular Formula
C11H18ClN7O Molecular Weight
299.766 g/mol
Synonyms/Alias
[EIPA; 1154-25-2; Ethylisopropylamiloride; 5-(N-Ethyl-N-isopropyl)amiloride; 5-(Ethylisopropyl)amiloride; Ethyl isopropyl amiloride; 5-(N-Ethyl-N-isopropyl) Amiloride; 5-(N-ethyl-N-isopropyl)-Amilorid...
InChI Key
QDERNBXNXJCIQK-UHFFFAOYSA-N
InChI
InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(...
IUPAC Name
3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
CAS Number
1154-25-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
20 20 0 0 0 0 0 0 0 0999 V2000
-5.4798 1.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9804 1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1952 0...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 12 (outward) 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
−40 mV mV
Temperature
22–24 °C
Test Method
Patch-clamping
Test Species
HL-1 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
0.3605
Complexity
79.7507
TPSA (Ų)
136.51
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
1