Molecular Details
DICL_CP_0307586
- pyrimidine-4-carbohydrazide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307586
PubChem CID
Molecular Formula
C5H6N4O Molecular Weight
138.13 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
NWTQBXDLKZTWAH-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N4O/c6-9-5(10)4-1-2-7-3-8-4/h1-3H,6H2,(H,9,10)
IUPAC Name
pyrimidine-4-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
10 10 0 0 0 0 0 0 0 0999 V2000
-3.7977 0.6707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3110 0.8699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3951 -0...
Experimental Data
Activity Data
Target Ion Channel
P2X purinoceptor 7
Uniprot Accession Number
Function
Modulator
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 10 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
4°C
Test Method
Radioligand Binding Assay
Test Species
1321N1 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US10053463
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
1
logP
-0.9199
Complexity
33.6856
TPSA (Ų)
80.9
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
1