Molecular Details
DICL_CP_0314992
- 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314992
PubChem CID
Molecular Formula
C8H7ClN2O2S Molecular Weight
230.676 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
GDLBFKVLRPITMI-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
IUPAC Name
7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
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
14 15 0 0 0 0 0 0 0 0999 V2000
-3.9387 -1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5472 -0.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3665 -1...
Experimental Data
Activity Data
Target Ion Channel
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11
Uniprot Accession Number
Function
Opener
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 33000 (Repolarization of tolbutamide-depolarized HEK 293 cells) nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not mention mV
Temperature
37 °C
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
0
logP
1.6818
Complexity
54.5425
TPSA (Ų)
58.53
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2