Molecular Details
DICL_CP_0308041
- 2-methylpyridine-3-carbohydrazide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308041
PubChem CID
Molecular Formula
C7H9N3O Molecular Weight
151.169 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
YQSHPGUURTXVDV-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3O/c1-5-6(7(11)10-8)3-2-4-9-5/h2-4H,8H2,1H3,(H,10,11)
IUPAC Name
2-methylpyridine-3-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
11 11 0 0 0 0 0 0 0 0999 V2000
0.2713 -2.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6662 -1.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 -1...
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: 4 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
11
Rotatable Bonds
1
logP
-0.0065
Complexity
40.6276
TPSA (Ų)
68.01
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
1