CHEMBL222194
SMILES | Nc1nc(OCCc2c[nH]c3ccc(Br)cc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
InChIKey | ZUYSJPWNKBPSJB-NVQRDWNXSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 5 |
Rotatable bonds | 6 |
Molecular weight (Da) | 504.1 |
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 | 6.63 | 6.63 | 6.63 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pEC50 | 6.44 | 6.44 | 6.44 | ChEMBL |