Molecular Details
DICL_CP_0307591
- pyrimidine-2-carbohydrazide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307591
PubChem CID
Molecular Formula
C5H6N4O Molecular Weight
138.13 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
DQEIYNHQKWEZKR-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N4O/c6-9-5(10)4-7-2-1-3-8-4/h1-3H,6H2,(H,9,10)
IUPAC Name
pyrimidine-2-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
IC50: >10000 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 7.4
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) 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