CHEMBL303198
SMILES | Nc1nc2ccc(Cl)cc2n2c(-c3ccccc3)nnc12 |
InChIKey | PBENJWAFQLORQL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 295.1 |
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 | Guinea pig | Adenosine | A | pKi | 5.16 | 5.16 | 5.16 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 6.57 | 6.57 | 6.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Rat | Adenosine | A | pIC50 | 6.57 | 6.57 | 6.57 | ChEMBL |