CHEMBL1561896
SMILES | COc1cccc(COC(=O)c2nn(-c3ccccc3)nc2N)c1 |
InChIKey | PVXSYGKEPLNOTR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 324.1 |
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 |
A1 | AA1R | Human | Adenosine | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.72 | 6.72 | 6.72 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |