Molecular Details
DICL_CP_0332304
- 3,5-diamino-6-chloro-N-(N-hexylcarbamimidoyl)pyrazine-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0332304
PubChem CID
Molecular Formula
C12H20ClN7O Molecular Weight
313.793 g/mol
Synonyms/Alias
[CHEMBL210966; SCHEMBL14088251; BDBM50190491; N-(3;5-diamino-6-chloropyrazine-2-carbonyl)-N-hexylguanidine]
InChI Key
ACVAUATXKGKIKY-UHFFFAOYSA-N
InChI
InChI=1S/C12H20ClN7O/c1-2-3-4-5-6-17-12(16)20-11(21)7-9(14)19-10(15)8(13)18-7/h2-6H2,1H3,(H4,14,15,1...
IUPAC Name
3,5-diamino-6-chloro-N-(N-hexylcarbamimidoyl)pyrazine-2-carboxamide
CAS Number
2898-76-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
41 41 0 0 0 0 0 0 0 0999 V2000
-5.7952 -1.5548 1.8185 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2014 -0.1478 1.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1835 0.443...
Experimental Data
Activity Data
Target Ion Channel
Amiloride-sensitive sodium channel subunit alpha (epithelial sodium channel (ENaC))
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 87 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
0 mV mV
Temperature
37 °C
Test Method
Patch-clamping
Test Species
canine bronchial tissue
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
6
logP
0.9192
Complexity
83.9644
TPSA (Ų)
145.3
H-Bond Donors
4
H-Bond Acceptors
6
Ring Count
1