CHEMBL3941406
SMILES | Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)NCCCOCCOOCCCCCN)cc3)n3nc(-c4ccco4)nc23)n1 |
InChIKey | XYJFBOLPYWWSPF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 4 |
Rotatable bonds | 18 |
Molecular weight (Da) | 634.3 |
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 | 7.99 | 7.99 | 7.99 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |