Molecular Details
DICL_CP_0334496
- N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0334496
PubChem CID
Molecular Formula
C17H24N2O2S Molecular Weight
320.458 g/mol
Synonyms/Alias
[S3969; 1027997-01-8; N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide; N-(2-Hydroxyethyl)-4-methyl-2-((4-methyl-1H-indol-3-yl)thio)pentamide; S 3969; SCHEMBL957128; GTPL430...
InChI Key
FTNIWEHRMFLJKE-UHFFFAOYSA-N
InChI
InChI=1S/C17H24N2O2S/c1-11(2)9-14(17(21)18-7-8-20)22-15-10-19-13-6-4-5-12(3)16(13)15/h4-6,10-11,14,1...
IUPAC Name
N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide
CAS Number
1027997-01-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
46 47 0 0 0 0 0 0 0 0999 V2000
-2.9508 -0.3136 -1.6596 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7521 -1.2481 -0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2484 -0.816...
Experimental Data
Activity Data
Target Ion Channel
Amiloride-sensitive sodium channel alpha/beta/gamma (epithelial sodium channel (ENaC))
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 1200 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
21−24 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
22
Rotatable Bonds
7
logP
3.0916
Complexity
92.2312
TPSA (Ų)
65.12
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
2