Molecular Details
DICL_CP_0337480
- 1-[[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methyl]-4-aza-1-azoniabicyclo[2.2.2]octane
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0337480
PubChem CID
Molecular Formula
C20H32N4+2 Molecular Weight
328.504 g/mol
Synonyms/Alias
[SCHEMBL833000]
InChI Key
JNQJBSDRAIWUQJ-UHFFFAOYSA-N
InChI
InChI=1S/C20H32N4/c1-2-20(18-24-14-8-22(9-15-24)10-16-24)4-3-19(1)17-23-11-5-21(6-12-23)7-13-23/h1-4...
IUPAC Name
1-[[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methyl]-4-aza-1-azoniabicyclo[2.2.2]octane
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
24 28 0 0 0 0 0 0 0 0999 V2000
5.1175 -1.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8430 -0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8908 0...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily C member 4
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 129000 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
−80 mV mV
Temperature
22–25 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
24
Rotatable Bonds
4
logP
0.9786
Complexity
96.4528
TPSA (Ų)
6.48
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
7