Molecular Details
DICL_CP_0424710
- 2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0424710
PubChem CID
Molecular Formula
C23H24ClN3O5S Molecular Weight
489.981 g/mol
Synonyms/Alias
[AKOS034635964; Z85882012]
InChI Key
ITUIYVBKWQHUON-UHFFFAOYSA-N
InChI
InChI=1S/C23H24ClN3O5S/c24-19-9-8-16(33(31,32)27-10-4-1-5-11-27)13-18(19)22(28)26-21(23(29)30)12-15-...
IUPAC Name
2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
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
57 60 0 0 0 0 0 0 0 0999 V2000
7.5302 1.9151 -0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8485 1.2820 0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3569 1.029...
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: 45800 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
33
Rotatable Bonds
7
logP
3.4216
Complexity
124.9545
TPSA (Ų)
119.57
H-Bond Donors
3
H-Bond Acceptors
4
Ring Count
4