CHEMBL4090519
SMILES | CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NC4CC4)ncnc32)[C@H](O)[C@@H]1O |
InChIKey | WOXOFZPIPNQHKA-AEISUSGSSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 398.1 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.08 | 7.08 | 7.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |