CHEMBL409460
SMILES | Cc1cc(C)n(-c2cc(NC(=O)CN3CCC[C@@H](CN(C)C)C3)nc(-c3ccc(C)o3)n2)n1 |
InChIKey | KRQSPIGYXUHKMU-IBGZPJMESA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 451.3 |
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 | Rat | Adenosine | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.15 | 7.15 | 7.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |