CHEMBL489126
SMILES | COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NC4CC4)nc32)c1 |
InChIKey | DJEOUFPKQANXEL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 423.2 |
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 | 8.4 | 8.4 | 8.4 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.63 | 6.63 | 6.63 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |