CHEMBL231891
SMILES | CCNc1nc(-n2cc(-c3ccccn3)cn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
InChIKey | CSZTXEWLZCFIMW-NVQRDWNXSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 438.2 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 6.97 | 6.97 | 6.97 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |