CHEMBL4167077
SMILES | Cn1c(-c2ccccc2)nc2c(NC3CCCCC3)ncnc21 |
InChIKey | YWKGGDFEAFOYPA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 307.2 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 8.24 | 8.24 | 8.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |