Molecular Details
DICL_CP_0339286
- 3,5-diamino-6-chloro-N-[N-(2-phenylethyl)carbamimidoyl]pyrazine-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0339286
PubChem CID
Molecular Formula
C14H16ClN7O Molecular Weight
333.783 g/mol
Synonyms/Alias
[CHEMBL211611; 3;5-Diamino-6-chloro-N-(N-phenethylcarbamimidoyl)pyrazine-2-carboxamide; BDBM50190485; N-(3;5-diamino-6-chloropyrazine-2-carbonyl)-N-phenethylguanidine]
InChI Key
HAAPWIPRWOFLMY-UHFFFAOYSA-N
InChI
InChI=1S/C14H16ClN7O/c15-10-12(17)21-11(16)9(20-10)13(23)22-14(18)19-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(...
IUPAC Name
3,5-diamino-6-chloro-N-[N-(2-phenylethyl)carbamimidoyl]pyrazine-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
39 40 0 0 0 0 0 0 0 0999 V2000
-7.0901 -0.7246 0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1666 -1.5019 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8270 -1.107...
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: 66 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
23
Rotatable Bonds
4
logP
0.5816
Complexity
89.9684
TPSA (Ų)
145.3
H-Bond Donors
4
H-Bond Acceptors
6
Ring Count
2