Molecular Details
DICL_CP_0406467
- 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0406467
PubChem CID
Molecular Formula
C23H19ClN2O4S Molecular Weight
454.935 g/mol
Synonyms/Alias
[4-{[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl}benzoic acid; 1053106-28-7; 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzoic acid; AKOS008010547; EN300-123929; Z45596640; 4-{[2...
InChI Key
BQOUDJGEXVZTEE-UHFFFAOYSA-N
InChI
InChI=1S/C23H19ClN2O4S/c24-21-7-3-1-5-17(21)20(19-13-25-22-8-4-2-6-18(19)22)14-26-31(29,30)16-11-9-1...
IUPAC Name
4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl]benzoic acid
CAS Number
1053106-28-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
50 53 0 0 0 0 0 0 0 0999 V2000
-3.7396 1.5814 2.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7666 2.3452 1.4598 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8934 2.398...
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: 5720 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
31
Rotatable Bonds
7
logP
4.6299
Complexity
120.1835
TPSA (Ų)
99.26
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
4