CHEMBL3674591
SMILES | OC[C@H]1OC(n2cnc3c(NC4CCCCC4OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O |
InChIKey | JNBXZKKJHPLGEA-DEPJIMBQSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 7 |
Molecular weight (Da) | 455.2 |
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 |
A3 | AA3R | Rabbit | Adenosine | A | pKi | 5.59 | 5.59 | 5.59 | ChEMBL |
A1 | AA1R | Rabbit | Adenosine | A | pKi | 7.28 | 7.41 | 7.54 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 4.59 | 5.01 | 5.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |