CHEMBL589251
SMILES | C=CCCCCCCCCCCOCCOCCOCCOCCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 |
InChIKey | VVFSRAIHBDLLMD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 1 |
Rotatable bonds | 25 |
Molecular weight (Da) | 614.4 |
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 |
A2B | AA2BR | Human | Adenosine | A | pKi | 8.38 | 8.38 | 8.38 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |