Molecular Details
DICL_CP_0345019
- 5-(4-Phenyl-3-oxobutoxy)psoralen
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0345019
PubChem CID
N/A (Not available)
Molecular Formula
C21H16O5 Molecular Weight
348.354 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
LXUZAABWLZWOJT-UHFFFAOYSA-N
InChI
InChI=1S/C21H16O5/c22-16(10-14-4-2-1-3-5-14)7-9-25-19-13-21(23)26-20-12-18-15(6-8-24-18)11-17(19)20/...
IUPAC Name
5-(4-Phenyl-3-oxobutoxy)psoralen
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
26 29 0 0 0 0 0 0 0 0999 V2000
-2.1906 4.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4920 3.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3702 2...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 5
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 90 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−80 to 40 mV mV
Temperature
Room Temperature
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
26
Rotatable Bonds
6
logP
4.1199
Complexity
97.521
TPSA (Ų)
69.65
H-Bond Donors
0
H-Bond Acceptors
5
Ring Count
4