Molecular Details
DICL_CP_0400073
- 1-[2-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]-3-phenylpropan-1-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0400073
PubChem CID
Molecular Formula
C29H33NO3 Molecular Weight
443.587 g/mol
Synonyms/Alias
[CHEMBL1963280; CHEMBL1914835; BDBM50357204; PD190124]
InChI Key
ZHUPKALTWVLYNU-UHFFFAOYSA-N
InChI
InChI=1S/C29H33NO3/c31-26(21-30-19-17-25(18-20-30)24-11-5-2-6-12-24)22-33-29-14-8-7-13-27(29)28(32)1...
IUPAC Name
1-[2-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]-3-phenylpropan-1-one
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
66 69 0 0 0 0 0 0 0 0999 V2000
4.1447 0.0647 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0410 0.9205 1.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6965 0.607...
Experimental Data
Activity Data
Target Ion Channel
SUR2B/ATP sensitive inward rectifier potassium channel 8
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 170000 nM
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
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
33
Rotatable Bonds
10
logP
5.1214
Complexity
131.8943
TPSA (Ų)
49.77
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
4