CHEMBL286959
SMILES | COc1cc(/C=C/c2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc(OC)c1OCCCCNC(=O)OC(C)(C)C |
InChIKey | CNBRHWCJJYWEJV-VAWYXSNFSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 543.3 |
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 |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.96 | 4.96 | 4.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |