CHEMBL235076
SMILES | Nc1nc2ccc(Cl)cc2n2c(=O)c(-c3ccc(Cl)cc3)nn12 |
InChIKey | QEKAHUYYWSNHDY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 345.0 |
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 | Human | Adenosine | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |