CHEMBL223326
SMILES | CONc1nc(C#CC2CCCCC2O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
InChIKey | FEYPBAUWNQTFHW-GEPILXKISA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 5 |
Rotatable bonds | 4 |
Molecular weight (Da) | 419.2 |
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 | Human | Adenosine | A | pKi | 8.77 | 8.77 | 8.77 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.04 | 7.04 | 7.04 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.47 | 7.47 | 7.47 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |