Molecular Details
DICL_CP_0328671
- ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0328671
PubChem CID
Molecular Formula
C16H18FN3O2 Molecular Weight
303.337 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
PCOBBVZJEWWZFR-UHFFFAOYSA-N
InChI
InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,1...
IUPAC Name
ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
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
22 23 0 0 0 0 0 0 0 0999 V2000
-9.1183 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6586 0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6295 -0...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 2
Uniprot Accession Number
Function
Opener
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: 1300 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−40 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK 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
22
Rotatable Bonds
5
logP
3.5884
Complexity
85.2258
TPSA (Ų)
76.38
H-Bond Donors
3
H-Bond Acceptors
4
Ring Count
2