Molecular Details
DICL_CP_0317007
- N'-(2-methylphenyl)cycloheptanecarbohydrazide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0317007
PubChem CID
Molecular Formula
C15H22N2O Molecular Weight
246.354 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
VOFZFMCNZAIKCO-UHFFFAOYSA-N
InChI
InChI=1S/C15H22N2O/c1-12-8-6-7-11-14(12)16-17-15(18)13-9-4-2-3-5-10-13/h6-8,11,13,16H,2-5,9-10H2,1H3...
IUPAC Name
N'-(2-methylphenyl)cycloheptanecarbohydrazide
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
4.5745 -1.9078 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4605 -0.4189 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5805 0.306...
Experimental Data
Activity Data
Target Ion Channel
P2X purinoceptor 7
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 48.98 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