CHEMBL200479
SMILES | COc1ccc(-c2nc3c(N)nc4ccc(Cl)cc4n3n2)cc1 |
InChIKey | CIFHDXKENKUWEC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 325.1 |
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 | Bovine | Adenosine | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |