Molecular Details
DICL_CP_0314885
- 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314885
PubChem CID
Molecular Formula
C6H8ClN7O Molecular Weight
229.631 g/mol
Synonyms/Alias
[AMILORIDE; 2609-46-3; Amipramidin; Guanamprazin; Guanamprazine; Amipramizid; Midamor; Amilorida; Amipramizide; 3;5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide; Amiloridum; Amyloride; Amicl...
InChI Key
XSDQTOBWRPYKKA-UHFFFAOYSA-N
InChI
InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
IUPAC Name
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
CAS Number
2609-46-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
23 23 0 0 0 0 0 0 0 0999 V2000
-0.1039 -0.8589 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9544 -1.3105 -0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2351 -1.078...
Experimental Data
Activity Data
Target Ion Channel
Aquaporin-2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 100 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
Not specified
Temperature
Not mention
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
1
logP
-1.292
Complexity
56.0071
TPSA (Ų)
159.29
H-Bond Donors
4
H-Bond Acceptors
5
Ring Count
1