Molecular Details
DICL_CP_0320352
- 7-methoxy-1,1-dioxo-N-propan-2-yl-4H-1lambda6,2,4-benzothiadiazin-3-imine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320352
PubChem CID
Molecular Formula
C11H15N3O3S Molecular Weight
269.326 g/mol
Synonyms/Alias
[CHEMBL189093; BPDZ-216; SCHEMBL1726986; BDBM50363011; NNC-55-9216]
InChI Key
WZTBJUYSQNCMJG-UHFFFAOYSA-N
InChI
InChI=1S/C11H15N3O3S/c1-7(2)12-11-13-9-5-4-8(17-3)6-10(9)18(15,16)14-11/h4-7H,1-3H3,(H2,12,13,14)
IUPAC Name
7-methoxy-1,1-dioxo-N-propan-2-yl-4H-1lambda6,2,4-benzothiadiazin-3-imine
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
33 34 0 0 0 0 0 0 0 0999 V2000
5.0742 0.7089 0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8443 1.0440 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1615 0.862...
Experimental Data
Activity Data
Target Ion Channel
Inwardly rectifying subfamily J member 13
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 7020 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
0 mV mV
Temperature
20–24 °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
18
Rotatable Bonds
2
logP
1.1634
Complexity
69.5092
TPSA (Ų)
79.79
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
2