CHEMBL400013
SMILES | Cc1ccc(Nc2nc(-n3cc(CO)cn3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |
InChIKey | FFXMREHKIUCCAM-WVSUBDOOSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 5 |
Rotatable bonds | 6 |
Molecular weight (Da) | 453.2 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.13 | 7.13 | 7.13 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |