CHEMBL347519
SMILES | O[C@@H]1[C@@H](CO/C(S)=N/Cc2ccccc2)OC(n2cnc3c(NC4CCOC4)ncnc32)[C@@H]1O |
InChIKey | HTPXSAIAFDDZJS-RXHHNXKZSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 4 |
Rotatable bonds | 7 |
Molecular weight (Da) | 486.2 |
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 | Human | Adenosine | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |