CHEMBL3317579
SMILES | Nc1nc(CCCc2cccc(O)c2)nc2cn(-c3ccccc3)nc12 |
InChIKey | SHQKGVUFKLDRQI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 345.2 |
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 | Human | Adenosine | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 9.66 | 9.66 | 9.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 8.54 | 8.54 | 8.54 | ChEMBL |