Molecular Details
DICL_CP_0320640
- N'-phenyladamantane-1-carbohydrazide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320640
PubChem CID
Molecular Formula
C17H22N2O Molecular Weight
270.376 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
MJLKCZVOIRTXLZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H22N2O/c20-16(19-18-15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,18H,6-...
IUPAC Name
N'-phenyladamantane-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
42 45 0 0 0 0 0 0 0 0999 V2000
1.2328 -0.2744 -1.4477 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5562 -0.7881 -0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1543 -1.817...
Experimental Data
Activity Data
Target Ion Channel
P2X purinoceptor 7
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 275.42 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
20
Rotatable Bonds
3
logP
3.3461
Complexity
78.8124
TPSA (Ų)
41.13
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
5