CHEMBL3317565
SMILES | Nc1nc(Cc2ccccc2F)nc2cn(-c3ccccc3)nc12 |
InChIKey | RGBNONBGSOJVQN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 319.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Human | Adenosine | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.81 | 6.81 | 6.81 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 6.91 | 6.91 | 6.91 | ChEMBL |