Molecular Details
DICL_CP_0310476
- tetrapropylazanium
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310476
PubChem CID
Molecular Formula
C12H28N+ Molecular Weight
186.363 g/mol
Synonyms/Alias
[Tetrapropylammonium; tetrapropylazanium; Tetrapropylamine; 13010-31-6; N;N;N-tripropylpropan-1-aminium; CHEMBL2074857; CHEBI:55319; N;N;N-tripropyl-1-propanaminium; tetrapropyl ammonium; 1-Propanamin...
InChI Key
OSBSFAARYOCBHB-UHFFFAOYSA-N
InChI
InChI=1S/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+1
IUPAC Name
tetrapropylazanium
CAS Number
1643-19-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
41 40 0 0 0 0 0 0 0 0999 V2000
-2.9511 0.4308 -2.8519 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8929 -0.3225 -2.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5582 0.422...
Experimental Data
Activity Data
Target Ion Channel
Aquaporin-1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >10000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
8
logP
3.4432
Complexity
60.8924
TPSA (Ų)
0
H-Bond Donors
0
H-Bond Acceptors
0
Ring Count
0