Molecular Details
DICL_CP_0329440
- 3,5-diamino-6-chloro-N-(N-phenylcarbamimidoyl)pyrazine-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0329440
PubChem CID
Molecular Formula
C12H12ClN7O Molecular Weight
305.729 g/mol
Synonyms/Alias
[Phenamil; 2038-35-9; phenylamil; 2-Pyrazinecarboxamide; 3;5-diamino-6-chloro-N-[imino(phenylamino)methyl]-; CHEMBL211502; CHEBI:34919; 3;5-diamino-6-chloro-N-(N-phenylcarbamimidoyl)pyrazine-2-carboxa...
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-6-chloro-N-(N-phenylcarbamimidoyl)pyrazine-2-carboxamide
CAS Number
2038-35-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 22 0 0 0 0 0 0 0 0999 V2000
-4.2019 -2.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3100 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9884 -0...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 4
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >50000 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
21
Rotatable Bonds
2
logP
0.6706
Complexity
81.0574
TPSA (Ų)
145.3
H-Bond Donors
4
H-Bond Acceptors
6
Ring Count
2