CHEMBL7113
SMILES | Oc1c(-c2ccccc2)nnc2nc3ccccc3n12 |
InChIKey | FAHYFNIQRUEYFR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 262.1 |
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 |
A1 | AA1R | Bovine | Adenosine | A | pKi | 6.71 | 6.88 | 7.07 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.54 | 5.54 | 5.54 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.14 | 6.62 | 7.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 8.85 | 8.85 | 8.85 | ChEMBL |