CHEMBL4562258
SMILES | O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC4C[C@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O |
InChIKey | PVJGDYDNVNCGBT-MIACGEQZSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 379.1 |
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 | Mouse | Adenosine | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
A1 | AA1R | Mouse | Adenosine | A | pKi | 9.7 | 9.7 | 9.7 | ChEMBL |
A3 | AA3R | Mouse | Adenosine | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.87 | 5.87 | 5.87 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 9.29 | 9.29 | 9.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |