Molecular Details
DICL_CP_0314900
- 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314900
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
0.4921 -0.0012 0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5684 -0.2015 1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8095 0.222...
Experimental Data
Activity Data
Target Ion Channel
Acid-sensing ion channel 1
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 1700 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
−60 mV mV
Temperature
21−23 °C
Test Method
Patch-clamping
Test Species
tsA-201 Homo sapiens embryonic kidney cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
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