CHEMBL522856
SMILES | O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@@H]1O |
InChIKey | YPCLFHBYRDLMJY-AXAPSJFSSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 421.0 |
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 |
A3 | AA3R | Rat | Adenosine | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.17 | 8.17 | 8.17 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |