Molecular Details
DICL_CP_0313966
- 4-methyl-N'-(2-methylphenyl)pentanehydrazide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313966
PubChem CID
Molecular Formula
C13H20N2O Molecular Weight
220.316 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
JVDABQIKZNAORT-UHFFFAOYSA-N
InChI
InChI=1S/C13H20N2O/c1-10(2)8-9-13(16)15-14-12-7-5-4-6-11(12)3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
IUPAC Name
4-methyl-N'-(2-methylphenyl)pentanehydrazide
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
36 36 0 0 0 0 0 0 0 0999 V2000
-2.7980 -1.7369 0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9814 -0.3968 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1671 -0.492...
Experimental Data
Activity Data
Target Ion Channel
P2X purinoceptor 7
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 338.84 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 specified
Temperature
4 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
THP-1 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
16
Rotatable Bonds
5
logP
2.8743
Complexity
67.0164
TPSA (Ų)
41.13
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
1