CHEMBL2261736
SMILES | CC(C)(C)C(=O)c1cc2c([nH]c1=O)CC(c1ccccc1)CC2=O |
InChIKey | UAWCCUPYYLZMFD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 323.2 |
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 | E1BKU0 | Bovine | Adenosine | A | pKi | 4.82 | 4.82 | 4.82 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 4.8 | 4.8 | 4.8 | ChEMBL |
A1 | AA1R | Bovine | Adenosine | A | pKi | 5.29 | 5.29 | 5.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |