CHEMBL343175
SMILES | C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CCO)c1=O |
InChIKey | PKIXGFKHUAYVRR-CMDGGOBGSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 380.1 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 7.41 | 7.41 | 7.41 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.98 | 5.98 | 5.98 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |