CHEMBL3765580
SMILES | COc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12 |
InChIKey | QUKCQGCIXGTFIF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 359.1 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 9.22 | 9.22 | 9.22 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 9.7 | 9.7 | 9.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |