CHEMBL1088235
SMILES | Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNCc3ccccn3)ccc1C2=O |
InChIKey | RRFVLQBVGAHGSD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 393.2 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.27 | 8.27 | 8.27 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |