CHEMBL4285563
SMILES | CNc1ncc(C(=O)OCc2ccccc2)c2nc(-c3ccco3)nn12 |
InChIKey | ZOPYTUTUZKWAKO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 349.1 |
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 |
A1 | AA1R | Human | Adenosine | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.14 | 8.14 | 8.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |