CHEMBL350988
SMILES | CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCCO)c1CCC |
InChIKey | JFFLSWVXJMUUFT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 415.2 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 5.25 | 5.25 | 5.25 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.97 | 4.97 | 4.97 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.29 | 7.29 | 7.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |