CHEMBL255911
SMILES | N#Cc1cccc(OCC(=O)Nc2cc(-c3nccs3)nc(-c3ccccn3)n2)c1 |
InChIKey | GYOCQXVVGOKQNM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 414.1 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |