CHEMBL3394261
SMILES | Nc1nc(NCCc2ccc(Oc3nc(Cl)nc(N4CCOCC4)n3)cc2)nc2nc(-c3ccco3)nn12 |
InChIKey | OSRFFVKRRIWPDV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 535.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 6.87 | 6.87 | 6.87 | ChEMBL |