CHEMBL3222093
SMILES | Nc1nc(-c2nccs2)nc2sc(CN3CCOCC3)cc12 |
InChIKey | IHXNUNBVWZQVOL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 333.1 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.56 | 5.56 | 5.56 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |