Synonyms | |
Status | |
Molecule Category | Free-form |
UNII | 1T237110W4 |
EPA CompTox | DTXSID90236139 |
InChI Key | AQLVRTWKJDTWQQ-SDBHATRESA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C15H20N6O6 | |
Molecular Weight | 380.36 | |
AlogP | 0.01 | |
Hydrogen Bond Acceptor | 11.0 | |
Hydrogen Bond Donor | 3.0 | |
Number of Rotational Bond | 6.0 | |
Polar Surface Area | 157.69 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 27.0 |
Protein: Adenosine A1 receptor Description: Adenosine receptor A1 Organism : Homo sapiens P30542 ENSG00000163485 |
||||
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 | - |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL3545407 | |
DrugBank | DB13122 | |
FDA SRS | 1T237110W4 | |
PubChem | 11610599 | |
SureChEMBL | SCHEMBL121828 | |
ZINC | ZINC000035931662 |