CHEMBL4287298
SMILES | CCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCN3CCOCC3)cc2)n(CCC)c1=O |
InChIKey | WIFPAFBKIWYNGZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 1 |
Rotatable bonds | 13 |
Molecular weight (Da) | 581.3 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |