Molecular Details
DICL_CP_0325517
- 6-chloro-N-(1-methylcyclopropyl)-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0325517
PubChem CID
Molecular Formula
C9H10ClN3O2S2 Molecular Weight
291.785 g/mol
Synonyms/Alias
[Tifenazoxide; 279215-43-9; NN414; NN-414; Tifenazoxide [INN]; NN 414; CHEMBL135191; Y79681GLMG; 8-CHLORO-N-(1-METHYLCYCLOPROPYL)-2;2-DIOXO-2$L^{6};9-DITHIA-3;5-DIAZAB ICYCLO[4.3.0]NONA-3;7;10-TRIEN-4...
InChI Key
KYSFUHHFTIGRJN-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClN3O2S2/c1-9(2-3-9)12-8-11-5-4-6(10)16-7(5)17(14,15)13-8/h4H,2-3H2,1H3,(H2,11,12,13)
IUPAC Name
6-chloro-N-(1-methylcyclopropyl)-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine
CAS Number
279215-43-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
27 29 0 0 0 0 0 0 0 0999 V2000
-2.4678 1.3355 1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2897 0.3339 -0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3184 0.808...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1/2
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 7900 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−110 to 100 mV mV
Temperature
Not mention
Test Method
Patch-clamping
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
17
Rotatable Bonds
1
logP
2.0138
Complexity
68.3472
TPSA (Ų)
70.56
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
3