CHEMBL375080
SMILES | Cc1ccc(S(=O)(=O)n2cc(CCOc3nc(N)c4ncn([C@@H]5O[C@H](CO)[C@@H](O)[C@H]5O)c4n3)c3ccccc32)cc1 |
InChIKey | XLGOPZUMYJVFMX-HUBRGWSESA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 580.2 |
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 | 5.87 | 5.87 | 5.87 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |