CHEMBL306633
SMILES | CCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)cc3)n2C)n(CCC)c1=O |
InChIKey | YADAAFDDAMXDEJ-FMIVXFBMSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 382.2 |
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 | Guinea pig | Adenosine | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 7.75 | 8.05 | 8.35 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.47 | 6.71 | 7.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |