Molecular Details
DICL_CP_0314882
- 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314882
PubChem CID
Molecular Formula
C6H8ClN7O Molecular Weight
229.631 g/mol
Synonyms/Alias
N/A (Not available)
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
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
15 15 0 0 0 0 0 0 0 0999 V2000
0.2107 -0.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6089 1.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0605 1...
Experimental Data
Activity Data
Target Ion Channel
Acid-sensing ion channel 1
Uniprot Accession Number
Function
inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
23.49% at 25 μM
Experimental Conditions
pH
Not mention
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
Not specified
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