Synonyms | |
Status | |
Molecule Category | Free-form |
UNII | LDR3USH1NJ |
EPA CompTox | DTXSID90196103 |
InChI Key | HQSBCDPYXDGTCL-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C16H15N7O | |
Molecular Weight | 321.34 | |
AlogP | 2.0 | |
Hydrogen Bond Acceptor | 8.0 | |
Hydrogen Bond Donor | 2.0 | |
Number of Rotational Bond | 3.0 | |
Polar Surface Area | 121.67 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 4.0 | |
Heavy Atoms | 24.0 |
Protein: Adenosine A2a receptor Description: Adenosine receptor A2a Organism : Homo sapiens P29274 ENSG00000128271 |
||||
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Nucleotide-like receptor (family A GPCR)
Adenosine receptor
|
- | - | 1 | 1-1 | - |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL447664 | |
DrugBank | DB06625 | |
FDA SRS | LDR3USH1NJ | |
Guide to Pharmacology | 5612 | |
PDB | 9XT | |
PubChem | 21874557 | |
SureChEMBL | SCHEMBL2849027 | |
ZINC | ZINC000040863182 |