CHEMBL121793
SMILES | CC(=O)Oc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1 |
InChIKey | TZTWHGNQXQXGGR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 336.1 |
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 |
A1 | AA1R | Bovine | Adenosine | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.95 | 7.95 | 7.95 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.01 | 5.01 | 5.01 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |