Molecular Details
DICL_CP_0350636
- (E)-N-(1-(4-methoxyphenyl)ethylidene)-2-((methylsulfonyl)methyl)benzohydrazide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0350636
PubChem CID
N/A (Not available)
Molecular Formula
C18H20N2O4S Molecular Weight
360.435 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
QAHXPXUNYDAYJS-CPNJWEJPSA-N
InChI
InChI=1S/C18H20N2O4S/c1-13(14-8-10-16(24-2)11-9-14)19-20-18(21)17-7-5-4-6-15(17)12-25(3,22)23/h4-11H...
IUPAC Name
(E)-N-(1-(4-methoxyphenyl)ethylidene)-2-((methylsulfonyl)methyl)benzohydrazide
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
45 46 0 0 0 0 0 0 0 0999 V2000
-0.8843 1.1580 1.8471 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4141 0.0681 1.4995 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6533 -0.882...
Experimental Data
Activity Data
Target Ion Channel
P2X purinoceptor 5
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
26% inhibition at 50 μM
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
astrocytoma 1321N1 cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Treatment of Pain and Inflammation
References
Computed Properties
Heavy Atom Count
25
Rotatable Bonds
6
logP
2.3938
Complexity
97.661
TPSA (Ų)
84.83
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
2