CHEMBL308634
| SMILES | O=P(O)(OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(O)ncnc31)[C@H](O)[C@@H]2O)OP(=O)(O)OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(O)ncnc31)[C@H](O)[C@@H]2O |
| InChIKey | HKLYEPRMHJKRRV-YAZKJGFISA-N |
Chemical properties
| Hydrogen bond acceptors | 19 |
| Hydrogen bond donors | 8 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 698.1 |
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 | Human | Adenosine | A | pKi | 4.66 | 4.67 | 4.67 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |