Molecular Details
DICL_CP_0334495
- N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0334495
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
3.6989 0.0416 1.2735 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5539 -0.4288 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3984 -1.083...
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: 890 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
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