CHEMBL361072
SMILES | CNc1nc(-n2cc(-c3nc4ccccc4o3)cn2)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O |
InChIKey | FSXCOMFDJBNLDD-XZHXJBAPSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 464.2 |
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 | 8.7 | 8.7 | 8.7 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.58 | 5.58 | 5.58 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |