CHEMBL610580
SMILES | CCCCCNS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2ncn3C2O[C@H](C(=O)NCC)[C@@H](O)[C@H]2O)cc1 |
InChIKey | XVWBGEPJQXMTFC-YSPQCQSRSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 6 |
Rotatable bonds | 11 |
Molecular weight (Da) | 576.2 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |