Molecular Details
DICL_CP_0341779
- 4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]morpholine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0341779
PubChem CID
Molecular Formula
C22H29NO2 Molecular Weight
339.479 g/mol
Synonyms/Alias
[CHEMBL387671; SCHEMBL6807137; BDBM50213092; PD189117; (1R;2R)-1-(1-naphthalenethoxy)-2-(4-morpholinyl)cyclohexane]
InChI Key
JQQLXARPNNPHPC-FGZHOGPDSA-N
InChI
InChI=1S/C22H29NO2/c1-2-9-20-18(6-1)7-5-8-19(20)12-15-25-22-11-4-3-10-21(22)23-13-16-24-17-14-23/h1-...
IUPAC Name
4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclohexyl]morpholine
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
54 57 0 0 0 0 0 0 0 0999 V2000
-1.0272 2.5720 -0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1017 1.9884 -1.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6625 0.670...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily B member 1
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 4000 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 to 60 mV mV
Temperature
Not mention
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
25
Rotatable Bonds
5
logP
4.0423
Complexity
102.04
TPSA (Ų)
21.7
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
4