CHEMBL363458
SMILES | OC[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)nc(-n4cc(-c5nccc6ccccc56)cn4)nc32)[C@H](O)[C@@H]1O |
InChIKey | FIQBKQNBKDSJOA-PSNVSEBLSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 4 |
Rotatable bonds | 7 |
Molecular weight (Da) | 676.1 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |