CHEMBL344187
SMILES | O=C1NCC[C@@]12O[C@@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)[C@H](O)[C@@H]2O |
InChIKey | GFHAZFGYXHKHAK-AHMDFLBRSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 522.1 |
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 | Rat | Adenosine | A | pKi | 7.29 | 7.3 | 7.31 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.53 | 7.57 | 7.62 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 4.53 | 4.53 | 4.53 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |