Molecular Details
DICL_CP_0329438
- 3,5-diamino-N-[amino(anilino)methylidene]-6-chloropyrazine-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0329438
PubChem CID
Molecular Formula
C12H12ClN7O Molecular Weight
305.729 g/mol
Synonyms/Alias
InChI Key
NIOHELZQFBGCEO-UHFFFAOYSA-N
InChI
InChI=1S/C12H12ClN7O/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6/h1-5H,(H4,14,15,19)(...
IUPAC Name
3,5-diamino-N-[amino(anilino)methylidene]-6-chloropyrazine-2-carboxamide
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
33 34 0 0 0 0 0 0 0 0999 V2000
-0.6507 -3.8191 -2.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0585 -2.6208 -2.5843 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8326 -2.159...
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: 401 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
2
logP
0.8614
Complexity
81.8844
TPSA (Ų)
145.3
H-Bond Donors
4
H-Bond Acceptors
5
Ring Count
2