CHEMBL314730
SMILES | OC[C@H]1O[C@@H](n2cnc3c(NN4CCCC(Sc5ccccc5)C4)nc(Cl)nc32)[C@H](O)[C@@H]1O |
InChIKey | ZSCYGLKOOQLWEJ-UEXBNONGSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 492.1 |
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 |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |