CHEMBL409711
SMILES | Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(C)CC3)nc(-c3ccccn3)n2)n1 |
InChIKey | IWFABDHEBLKWSW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 406.2 |
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 | 7.59 | 7.59 | 7.59 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |