Molecular Details
DICL_CP_0363555
- 1-(methylamino)-3-(4-((2-nitro-4-(trifluoromethyl)phenyl)amino)phenoxy)propan-2-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0363555
PubChem CID
N/A (Not available)
Molecular Formula
C17H18F3N3O4 Molecular Weight
385.342 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
FWIYWUAZTBSMIV-UHFFFAOYSA-N
InChI
InChI=1S/C17H18F3N3O4/c1-21-9-13(24)10-27-14-5-3-12(4-6-14)22-15-7-2-11(17(18,19)20)8-16(15)23(25)26...
IUPAC Name
1-(methylamino)-3-(4-((2-nitro-4-(trifluoromethyl)phenyl)amino)phenoxy)propan-2-ol
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
45 46 0 0 0 0 0 0 0 0999 V2000
8.0441 0.4748 0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3599 -0.8148 0.9028 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1878 -0.925...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily H member 1
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
66.6% of Kv10.1 Inhibition at 50 μM
Experimental Conditions
pH
pH 7.35
Holding Potential
−90 mV mV
Temperature
18–22 °C
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
27
Rotatable Bonds
8
logP
3.3163
Complexity
93.2516
TPSA (Ų)
96.66
H-Bond Donors
3
H-Bond Acceptors
6
Ring Count
2