CHEMBL444953
SMILES | Cc1ccc(-c2cc(-c3ccco3)nc(N)c2C#N)o1 |
InChIKey | LXDLDKQVICALRI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 265.1 |
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 |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.82 | 7.82 | 7.82 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |