CHEMBL3407788
SMILES | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#CC4CCCCC4)nc31)[C@H](O)[C@@H]2O |
InChIKey | CQKWAMOXAPOFOU-QKWCYAJMSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 424.2 |
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 | Mouse | Adenosine | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.78 | 8.78 | 8.78 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |