Molecular Details
DICL_CP_0312443
- 2-morpholin-4-yl-2-phenylethanol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312443
PubChem CID
Molecular Formula
C12H17NO2 Molecular Weight
207.273 g/mol
Synonyms/Alias
[2-morpholin-4-yl-2-phenylethanol; 20245-73-2; CHEMBL1090791; 2-morpholino-2-phenylethanol; SCHEMBL11651599; 2-Morpholino-2-phenylethan-1-ol; BDBM50315565]
InChI Key
DWRQJSYKHGJWPN-UHFFFAOYSA-N
InChI
InChI=1S/C12H17NO2/c14-10-12(11-4-2-1-3-5-11)13-6-8-15-9-7-13/h1-5,12,14H,6-10H2
IUPAC Name
2-morpholin-4-yl-2-phenylethanol
CAS Number
78168-92-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
32 33 0 0 0 0 0 0 0 0999 V2000
-2.1772 -0.5647 -0.9995 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5004 0.0485 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2585 1.269...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 5
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >60000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not mention mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
3
logP
1.0522
Complexity
58.6608
TPSA (Ų)
32.7
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2