CHEMBL274199
SMILES | CCCn1c(=O)c2nc([C@H]3CC[C@H](NC(=O)OCc4ccccc4)CC3)[nH]c2n(CCC)c1=O |
InChIKey | GNKVWLPYAHCCPN-WGSAOQKQSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 467.3 |
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 | Human | Adenosine | A | pKi | 5.53 | 5.53 | 5.53 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |