CHEMBL602848
SMILES | CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(Cc5ccc(-n6sccc6=O)cc5)nn4)nc31)[C@H](O)[C@@H]2O |
InChIKey | CSBCHZMNVIHATB-ATYYWOKSSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 4 |
Rotatable bonds | 12 |
Molecular weight (Da) | 764.2 |
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 | 6.99 | 6.99 | 6.99 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |