CHEMBL163488
SMILES | CCCc1c2c(nc(-c3ccccc3)c1C(=O)OCC)CCSC2=O |
InChIKey | YSNBDPJLNZJYOS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 355.1 |
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 | 4.36 | 4.36 | 4.36 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.6 | 4.6 | 4.6 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |