CHEMBL4159215
SMILES | Nc1nc(NCc2ccsc2)nc2sc(-c3ccco3)nc12 |
InChIKey | PQWDMDZIOAGQDU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 329.0 |
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 | 8.5 | 8.5 | 8.5 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 9.6 | 9.6 | 9.6 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 8.09 | 8.09 | 8.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 8.05 | 8.05 | 8.05 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 9.39 | 9.41 | 9.44 | ChEMBL |