CHEMBL72669
SMILES | FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccc(Cl)cc3n12 |
InChIKey | BZULZOAWPMZGRT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 355.1 |
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 |
A1 | AA1R | Guinea pig | Adenosine | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.55 | 7.9 | 8.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Rat | Adenosine | A | pIC50 | 8.26 | 8.26 | 8.26 | ChEMBL |