CHEMBL611288
SMILES | CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(CC4CCC(C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O |
InChIKey | MYAYQWJSZQGEAN-LPTUKRJWSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 462.2 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |