CHEMBL1091640
SMILES | Cn1cc2c(nc(NC(=O)Cc3ccccc3)n3nc(-c4ccc(F)cc4)nc23)n1 |
InChIKey | VZVVPDLBYXFYCO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 401.1 |
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 |
A1 | AA1R | Human | Adenosine | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.59 | 5.59 | 5.59 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 9.7 | 9.7 | 9.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |