CHEMBL4518996
SMILES | OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)cc31)[C@H](O)[C@@H]2O |
InChIKey | HFVHGNITWVDKMU-YOSNZQCFSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 404.2 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 6.84 | 6.84 | 6.84 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |