Molecular Details
DICL_CP_0381132
- 3-chloro-N-[2-[(11-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-1-benzothiophene-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0381132
PubChem CID
Molecular Formula
C17H19ClN2O4S2 Molecular Weight
414.936 g/mol
Synonyms/Alias
[AKOS034140858; Z30714546]
InChI Key
UGYJXGKGWKRICL-UHFFFAOYSA-N
InChI
InChI=1S/C17H19ClN2O4S2/c1-2-20(9-14(21)19-11-7-8-26(23,24)10-11)17(22)16-15(18)12-5-3-4-6-13(12)25-...
IUPAC Name
3-chloro-N-[2-[(11-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-1-benzothiophene-2-carboxamide
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
45 47 0 0 0 0 0 0 0 0999 V2000
0.5614 -2.2930 -3.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1235 -1.2634 -2.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 -1.814...
Experimental Data
Activity Data
Target Ion Channel
Amiloride-sensitive sodium channel alpha/beta/gamma (epithelial sodium channel (ENaC))
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 95000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−60 mV mV
Temperature
27 °C
Test Method
Patch-clamping
Test Species
HEK293T cell (Homo sapiens embryonic kidney 293T cell)
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
amiloride binding site
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
26
Rotatable Bonds
5
logP
2.3201
Complexity
103.614
TPSA (Ų)
83.55
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
3