Molecular Details
DICL_CP_0320804
- N'-pyridin-2-yladamantane-1-carbohydrazide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320804
PubChem CID
Molecular Formula
C16H21N3O Molecular Weight
271.364 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
FRXNPXJZSLQKDU-UHFFFAOYSA-N
InChI
InChI=1S/C16H21N3O/c20-15(19-18-14-3-1-2-4-17-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H...
IUPAC Name
N'-pyridin-2-yladamantane-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
41 44 0 0 0 0 0 0 0 0999 V2000
1.3994 -1.2474 0.8248 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6841 -0.2075 0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2301 1.022...
Experimental Data
Activity Data
Target Ion Channel
P2X purinoceptor 7
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 426.58 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
2.7411
Complexity
76.6074
TPSA (Ų)
54.02
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
5