Molecular Details
DICL_CP_0314880
- 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314880
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
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
5-hydroxytryptamine receptor 3A
Uniprot Accession Number
Function
Modulator
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >10000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay (GR 38032F)
Test Species
Not specified
Binding Information
Binding Site
extracellular 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