CHEMBL3317568
SMILES | Nc1nc(Cc2cccc(O)c2)nc2cn(-c3ccccc3)nc12 |
InChIKey | HBCWGZIBWZBFED-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 317.1 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |