CHEMBL196729
SMILES | Nc1nc(-c2ccc(C(=O)NCCc3ccc(O)cc3)cc2)cn2nc(-c3ccco3)nc12 |
InChIKey | HUYLASKTXVQSES-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 440.2 |
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 | Rat | Adenosine | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |