Molecular Details
DICL_CP_0319144
- 5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]pyrimidine-2,4-diamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319144
PubChem CID
Molecular Formula
C12H15N5O2 Molecular Weight
261.285 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
PFELYIBYHFKCBW-UHFFFAOYSA-N
InChI
InChI=1S/C12H15N5O2/c1-3-7-5-15-10(18-2)4-8(7)19-9-6-16-12(14)17-11(9)13/h4-6H,3H2,1-2H3,(H4,13,14,1...
IUPAC Name
5-[(5-ethyl-2-methoxy-4-pyridinyl)oxy]pyrimidine-2,4-diamine
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
19 20 0 0 0 0 0 0 0 0999 V2000
-4.3166 -3.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8938 -2.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5936 -1...
Experimental Data
Activity Data
Target Ion Channel
P2X purinoceptor 2/3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 338 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
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) assay
Test Species
Not specified
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
US11919918
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
4
logP
1.3993
Complexity
71.0978
TPSA (Ų)
109.17
H-Bond Donors
2
H-Bond Acceptors
7
Ring Count
2