Molecular Details
DICL_CP_0331047
- N,N-dipropylphenoxazine-10-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0331047
PubChem CID
Molecular Formula
C19H22N2O2 Molecular Weight
310.397 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
NRAODVLMMWJCCA-UHFFFAOYSA-N
InChI
InChI=1S/C19H22N2O2/c1-3-13-20(14-4-2)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-12H,3-4...
IUPAC Name
N,N-dipropylphenoxazine-10-carboxamide
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
23 25 0 0 0 0 0 0 0 0999 V2000
-5.2821 -3.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2584 -1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -2...
Experimental Data
Activity Data
Target Ion Channel
P2X purinoceptor 4
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
IC50: 2710 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
Not specified
Temperature
23 ℃
Test Method
Influx assay (Calcium ion)
Test Species
1321N1 astrocytoma cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
4
logP
5.1724
Complexity
92.648
TPSA (Ų)
32.78
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
3