Molecular Details
DICL_CP_0317005
- 1-methyl-N'-(2-methylphenyl)cyclohexane-1-carbohydrazide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317005
PubChem CID
Molecular Formula
C15H22N2O Molecular Weight
246.354 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
JWCPNGHLMPZESN-UHFFFAOYSA-N
InChI
InChI=1S/C15H22N2O/c1-12-8-4-5-9-13(12)16-17-14(18)15(2)10-6-3-7-11-15/h4-5,8-9,16H,3,6-7,10-11H2,1-...
IUPAC Name
1-methyl-N'-(2-methylphenyl)cyclohexane-1-carbohydrazide
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
40 41 0 0 0 0 0 0 0 0999 V2000
-2.5525 -1.6320 0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1269 -0.2478 0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9177 0.254...
Experimental Data
Activity Data
Target Ion Channel
P2X purinoceptor 7
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 147.91 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
18
Rotatable Bonds
3
logP
3.4085
Complexity
74.1364
TPSA (Ų)
41.13
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
2