CHEMBL446698
SMILES | c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CC4CCC3C4)c2[nH]1 |
InChIKey | TYCRGJHWMDJLCO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 5 |
Molecular weight (Da) | 405.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 6.91 | 6.91 | 6.91 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 4.41 | 4.41 | 4.41 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 4.47 | 4.47 | 4.47 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |