Molecular Details
DICL_CP_0368824
- [4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0368824
PubChem CID
Molecular Formula
C22H18O5S Molecular Weight
394.448 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
MOQMJNLZTPYDJF-GIDUJCDVSA-N
InChI
InChI=1S/C22H18O5S/c1-16-2-13-21(14-3-16)28(25,26)27-20-11-7-18(8-12-20)22(24)15-6-17-4-9-19(23)10-5...
IUPAC Name
[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate
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
28 30 0 0 0 0 0 0 0 0999 V2000
9.4805 -1.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1561 -0.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8840 -1...
Experimental Data
Activity Data
Target Ion Channel
Potassium channel subfamily K member 10
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 167000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
60 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK-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
28
Rotatable Bonds
6
logP
4.3644
Complexity
106.9061
TPSA (Ų)
80.67
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
3