CHEMBL1180632
SMILES | CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)[n+](C)c1-c1ccccc1 |
InChIKey | BCVPBGFEPYCMCD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 13 |
Molecular weight (Da) | 520.3 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |