CHEMBL611851
SMILES | OC[C@H]1OC(n2cnc3c(NC4CCCCCC4)ccnc32)[C@H](O)[C@@H]1O |
InChIKey | OUNUAAZXFANVEB-IPCZQBQASA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 362.2 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 5.04 | 5.04 | 5.04 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.44 | 6.44 | 6.44 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Rat | Adenosine | A | pEC50 | 5.2 | 5.2 | 5.2 | ChEMBL |