CHEMBL3752753
SMILES | CNc1nc(NCc2ccc(F)cc2)n2nc(-c3ccco3)nc2n1 |
InChIKey | MXCUPECTZIYFES-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 339.1 |
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 | 6.25 | 6.25 | 6.25 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.63 | 6.63 | 6.63 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.51 | 5.51 | 5.51 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |