CHEMBL515088
SMILES | COc1ccccc1Cn1c(=O)n(-c2cccc(OC(F)(F)F)c2)c2nc(NC3CC3)ncc21 |
InChIKey | OTFTWNAYKJBJDD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 471.2 |
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 | 6.69 | 6.69 | 6.69 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.29 | 5.29 | 5.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |