Molecular Details
DICL_CP_0314991
- 7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314991
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
Calcium-activated potassium channel subunit beta
Uniprot Accession Number
Function
Opener
Species
Sus scrofa (Pig)
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
pH 7.2
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Binding assay ([125I] A312110)
Test Species
Guinea Pig Heart
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