CHEMBL2113400
SMILES | CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O |
InChIKey | NLGWGPUWPWMVPP-HBGPKNEHSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 558.0 |
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 | 9.48 | 9.48 | 9.48 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |