CHEMBL3752432
SMILES | Fc1ccc(CNc2nc(NCc3ccccc3)nc3nc(-c4ccco4)nn23)cc1 |
InChIKey | PKKYZWGIYWKCJR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 415.2 |
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 | 7.12 | 7.12 | 7.12 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.83 | 5.83 | 5.83 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |