CHEMBL444550
SMILES | C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21 |
InChIKey | FZQBZRYTXUBBLO-AXYPVASZSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 497.1 |
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 |
A3 | AA3R | Rat | Adenosine | A | pKi | 5.49 | 5.49 | 5.49 | ChEMBL |
A1 | AA1R | Bovine | Adenosine | A | pKi | 7.07 | 7.36 | 7.7 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.79 | 6.99 | 7.19 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.03 | 6.18 | 6.33 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |