CHEMBL3918148
SMILES | O[C@H]1C[C@@]2(n3cnc4c(NCc5ccccc5F)nc(Cl)nc43)C[C@H]2[C@H]1O |
InChIKey | ZWLUSVREMOHISC-XFFUPTALSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 389.1 |
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 | 7.38 | 7.38 | 7.38 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.32 | 5.32 | 5.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |