CHEMBL183674
SMILES | Nc1nc(C#CC(O)C2(O)CCC2)cn2nc(-c3ccco3)nc12 |
InChIKey | PLQJXYXBJJQGNN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 2 |
Molecular weight (Da) | 325.1 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |