Molecular Details
DICL_CP_0315710
- 2-methyl-1-morpholin-4-yl-1-phenylpropan-2-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315710
PubChem CID
Molecular Formula
C14H21NO2 Molecular Weight
235.327 g/mol
Synonyms/Alias
[CHEMBL1090792; SCHEMBL12508295; BDBM50315566; 2-methyl-1-morpholino-1-phenylpropan-2-ol]
InChI Key
OWKHINQEBZMXKL-UHFFFAOYSA-N
InChI
InChI=1S/C14H21NO2/c1-14(2,16)13(12-6-4-3-5-7-12)15-8-10-17-11-9-15/h3-7,13,16H,8-11H2,1-2H3
IUPAC Name
2-methyl-1-morpholin-4-yl-1-phenylpropan-2-ol
CAS Number
1005123-62-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
38 39 0 0 0 0 0 0 0 0999 V2000
-0.7943 2.9603 -0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2973 1.9984 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6688 2.607...
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
17
Rotatable Bonds
3
logP
1.8308
Complexity
67.8728
TPSA (Ų)
32.7
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2