Molecular Details
DICL_CP_0315808
- ethyl N-[2-amino-6-(cyclopropylamino)pyridin-3-yl]carbamate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315808
PubChem CID
Molecular Formula
C11H16N4O2 Molecular Weight
236.275 g/mol
Synonyms/Alias
InChI Key
YEHSHPOVMOPHPD-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N4O2/c1-2-17-11(16)14-8-5-6-9(15-10(8)12)13-7-3-4-7/h5-7H,2-4H2,1H3,(H,14,16)(H3,12,1...
IUPAC Name
ethyl N-[2-amino-6-(cyclopropylamino)pyridin-3-yl]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
33 34 0 0 0 0 0 0 0 0999 V2000
5.4181 1.2830 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2544 0.6818 0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2467 -0.327...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 2/3
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: >10000 nM
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
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
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
17
Rotatable Bonds
4
logP
1.8065
Complexity
65.9388
TPSA (Ų)
89.27
H-Bond Donors
3
H-Bond Acceptors
5
Ring Count
2