CHEMBL17857
SMILES | CNC(=O)C1CC(n2cnc3c(NCc4cccc(I)c4)ncnc32)C(O)C1O |
InChIKey | RIXRHKHRKDXAQQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 508.1 |
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 | Rat | Adenosine | A | pKi | 4.71 | 4.71 | 4.71 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.45 | 4.45 | 4.45 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |