CHEMBL4176479
SMILES | Cn1c(-c2cccnc2)nc2c(NC3CCCC3)ncnc21 |
InChIKey | KDIBHOZUSSKCMY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 294.2 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 4.96 | 4.96 | 4.96 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.2 | 5.2 | 5.2 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |