CHEMBL257984
SMILES | Nc1nc(-c2ccco2)c2cnn(Cc3cccc(C(=O)O)c3)c2n1 |
InChIKey | MTKGBJBJLQVLGG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 335.1 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.2 | 5.2 | 5.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |