Molecular Details
DICL_CP_0365593
- 3,5-diamino-6-chloro-N-[N-[(3,4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0365593
PubChem CID
Molecular Formula
C13H12Cl3N7O Molecular Weight
388.646 g/mol
Synonyms/Alias
[3;4-Dichlorobenzamil; 1166-01-4; 3;4-dichlorobenzamil; GNF-Pf-1778; 3;5-diamino-6-chloro-N-[N-[(3;4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide; 3;4-Dichlorobenzamil hydrochloride; 3;5...
InChI Key
OSHKWEFWXCCNJR-UHFFFAOYSA-N
InChI
InChI=1S/C13H12Cl3N7O/c14-6-2-1-5(3-7(6)15)4-20-13(19)23-12(24)8-10(17)22-11(18)9(16)21-8/h1-3H,4H2,...
IUPAC Name
3,5-diamino-6-chloro-N-[N-[(3,4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
CAS Number
928621-15-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 25 0 0 0 0 0 0 0 0999 V2000
-4.5435 -1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0065 -0.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4514 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
24
Rotatable Bonds
3
logP
1.8459
Complexity
95.1214
TPSA (Ų)
145.3
H-Bond Donors
4
H-Bond Acceptors
6
Ring Count
2