CHEMBL2113701
SMILES | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H]2OC(=S)O[C@H]12 |
InChIKey | PWCUFBYAXYFCHR-IPJQOSJUSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 586.0 |
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 | 7.91 | 7.91 | 7.91 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |