CHEMBL2024119
SMILES | Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)n1 |
InChIKey | NDFNRBWLVZWETQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 331.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | A2A |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pKd | 8.5 | 8.5 | 8.5 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.5 | 7.5 | 7.51 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |