Chembl3407788
Chemical Properties
SMILES | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#CC4CCCCC4)nc31)[C@H](O)[C@@H]2O |
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight | 424.2 |
Drug Properties
Type | Small molecule |
Endogenous | No |
Approved | No |
InChIKey | CQKWAMOXAPOFOU-QKWCYAJMSA-N |
Bioactivity
Receptor | Experimental Data | 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 |